Sunday, January 1, 2012

All Chemical Compounds Information



Product OPENEYE NAME: ammonium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
CAS Name: ammonium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
IUPAC NAME: azanium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate
SYSTEMATIC NAME: azanium [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl bis[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl phosphate
MOLECULAR FORMULA: C38H38N6O14P2
MOLECULAR WEIGHT: 864.687642
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(OCC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)N=[N+]=[N-].[NH4+]
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Product OPENEYE NAME: [4-[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
CAS Name: benzoic acid [4-[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] ester
IUPAC NAME: [4-[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
SYSTEMATIC NAME: [4-[[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] benzoate
MOLECULAR FORMULA: C38H35N5O14P2
MOLECULAR WEIGHT: 847.657122
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(OCC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)N=[N+]=[N-]
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Product OPENEYE NAME: [(2R,3S,5R)-3-acetoxy-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate; tetrabutylammonium
CAS Name: [(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate; tetrabutylammonium
IUPAC NAME: [(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl bis[(4-benzoyloxyphenyl)methoxy]phosphoryl phosphate; tetrabutylazanium
SYSTEMATIC NAME: [(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromanylethenyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl bis[[4-(phenylcarbonyloxy)phenyl]methoxy]phosphoryl phosphate; tetrabutylazanium
MOLECULAR FORMULA: C57H72BrN3O16P2
MOLECULAR WEIGHT: 1197.043602
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])OP(=O)(OCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)/C=C/Br
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Product OPENEYE NAME: (1S,2R,4aS,6aS,6bR,10S,11S,12aR)-11-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CAS Name: (1S,2R,4aS,6aS,6bR,10S,11S,12aR)-11-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(E)-1-oxo-3-phenylprop-2-enoxy]-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC NAME: (1S,2R,4aS,6aS,6bR,10S,11S,12aR)-11-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aS,6bR,10S,11S,12aR)-11-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C40H56O5
MOLECULAR WEIGHT: 616.86964
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@@H]([C@H](C5(C)C)OC(=O)/C=C/C6=CC=CC=C6)OC)C)C)C2[C@H]1C)C)C(=O)O
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]butanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C32H42N6O10
MOLECULAR WEIGHT: 670.71008
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: 1-cyclopropyl-8-(difluoromethoxy)-4-oxo-7-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl)quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-4-oxo-7-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl)-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-8-(difluoromethoxy)-4-oxo-7-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl)quinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-4-oxidanylidene-7-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl)quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H19F2N3O4
MOLECULAR WEIGHT: 415.390066
SMILES: C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)C4=CN5CCNCC5=C4)OC(F)F)C(=O)O
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Product OPENEYE NAME: 7-(2-benzyl-3,4,6,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-4-oxo-7-[2-(phenylmethyl)-3,4,6,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-quinolinecarboxylic acid
IUPAC NAME: 7-(2-benzyl-3,4,6,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-4-oxidanylidene-7-[2-(phenylmethyl)-3,4,6,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]quinoline-3-carboxylic acid
MOLECULAR FORMULA: C28H27F2N3O4
MOLECULAR WEIGHT: 507.528486
SMILES: C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)C4=CC5CN(CCN5C4)CC6=CC=CC=C6)OC(F)F)C(=O)O
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Product OPENEYE NAME: 2,6-dibromo-4-[3-(1-naphthylmethoxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-(1-naphthalenylmethoxy)-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-(naphthalen-1-ylmethoxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-(naphthalen-1-ylmethoxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H13Br2N3O2
MOLECULAR WEIGHT: 487.14412
SMILES: C1=CC=C2C(=C1)C=CC=C2COC3=NNC(=C4C=C(C(=O)C(=C4)Br)Br)C=N3
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(2,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(2,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(2,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[3-[[2,4-bis(fluoranyl)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-bis(bromanyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H9Br2F2N3O2
MOLECULAR WEIGHT: 473.066366
SMILES: C1=CC(=C(C=C1F)F)COC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[2-(2,4-dichlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[2-(2,4-dichlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[2-(2,4-dichlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[2-(2,4-dichlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H11Br2Cl2N3O2
MOLECULAR WEIGHT: 520.00214
SMILES: C1=CC(=C(C=C1Cl)Cl)CCOC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(2-bromophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(2-bromophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(2-bromophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(2-bromophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H10Br3N3O2
MOLECULAR WEIGHT: 515.9815
SMILES: C1=CC=C(C(=C1)COC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2)Br
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(5-chloro-2-methoxy-phenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(5-chloro-2-methoxyphenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(5-chloro-2-methoxyphenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(5-chloranyl-2-methoxy-phenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H12Br2ClN3O3
MOLECULAR WEIGHT: 501.55648
SMILES: COC1=C(C=C(C=C1)Cl)COC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(3,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(3,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(3,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[3-[[3,4-bis(fluoranyl)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-bis(bromanyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H9Br2F2N3O2
MOLECULAR WEIGHT: 473.066366
SMILES: C1=CC(=C(C=C1COC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2)F)F
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[2-(4-bromophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[2-(4-bromophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[2-(4-bromophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[2-(4-bromophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H12Br3N3O2
MOLECULAR WEIGHT: 530.00808
SMILES: C1=CC(=CC=C1CCOC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2)Br
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Product OPENEYE NAME: 4-(3,5-dibromo-2,4-dihydroxy-phenyl)-N-(2,2-diphenylethyl)thiazole-2-carboxamide
CAS Name: 4-(3,5-dibromo-2,4-dihydroxyphenyl)-N-(2,2-diphenylethyl)-2-thiazolecarboxamide
IUPAC NAME: 4-(3,5-dibromo-2,4-dihydroxyphenyl)-N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
SYSTEMATIC NAME: 4-[3,5-bis(bromanyl)-2,4-bis(oxidanyl)phenyl]-N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
MOLECULAR FORMULA: C24H18Br2N2O3S
MOLECULAR WEIGHT: 574.28432
SMILES: C1=CC=C(C=C1)C(CNC(=O)C2=NC(=CS2)C3=CC(=C(C(=C3O)Br)O)Br)C4=CC=CC=C4
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Product OPENEYE NAME: (4-benzyl-1-piperidyl)-[4-(3,5-dibromo-2,4-dihydroxy-phenyl)thiazol-2-yl]methanone
CAS Name: [4-(3,5-dibromo-2,4-dihydroxyphenyl)-2-thiazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone
IUPAC NAME: (4-benzylpiperidin-1-yl)-[4-(3,5-dibromo-2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methanone
SYSTEMATIC NAME: [4-[3,5-bis(bromanyl)-2,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H20Br2N2O3S
MOLECULAR WEIGHT: 552.2788
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NC(=CS3)C4=CC(=C(C(=C4O)Br)O)Br
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Product OPENEYE NAME: (4-benzyl-1-piperidyl)-[4-(3,5-dichloro-4-hydroxy-phenyl)thiazol-2-yl]methanone
CAS Name: [4-(3,5-dichloro-4-hydroxyphenyl)-2-thiazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone
IUPAC NAME: (4-benzylpiperidin-1-yl)-[4-(3,5-dichloro-4-hydroxyphenyl)-1,3-thiazol-2-yl]methanone
SYSTEMATIC NAME: [4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-1,3-thiazol-2-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H20Cl2N2O2S
MOLECULAR WEIGHT: 447.3774
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NC(=CS3)C4=CC(=C(C(=C4)Cl)O)Cl
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Product OPENEYE NAME: (4-benzyl-1-piperidyl)-[4-(3,5-dibromo-4-hydroxy-phenyl)thiazol-2-yl]methanone
CAS Name: [4-(3,5-dibromo-4-hydroxyphenyl)-2-thiazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone
IUPAC NAME: (4-benzylpiperidin-1-yl)-[4-(3,5-dibromo-4-hydroxyphenyl)-1,3-thiazol-2-yl]methanone
SYSTEMATIC NAME: [4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1,3-thiazol-2-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H20Br2N2O2S
MOLECULAR WEIGHT: 536.2794
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NC(=CS3)C4=CC(=C(C(=C4)Br)O)Br
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Product OPENEYE NAME: [4-(3,5-dibromo-4-hydroxy-phenyl)thiazol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CAS Name: [4-(3,5-dibromo-4-hydroxyphenyl)-2-thiazolyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone
IUPAC NAME: [4-(3,5-dibromo-4-hydroxyphenyl)-1,3-thiazol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: [4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1,3-thiazol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C21H16Br2F3N3O2S
MOLECULAR WEIGHT: 591.23885
SMILES: C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=NC(=CS3)C4=CC(=C(C(=C4)Br)O)Br
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Product OPENEYE NAME: [4-(3,5-dichloro-4-hydroxy-phenyl)thiazol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CAS Name: [4-(3,5-dichloro-4-hydroxyphenyl)-2-thiazolyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone
IUPAC NAME: [4-(3,5-dichloro-4-hydroxyphenyl)-1,3-thiazol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: [4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-1,3-thiazol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C21H16Cl2F3N3O2S
MOLECULAR WEIGHT: 502.33685
SMILES: C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=NC(=CS3)C4=CC(=C(C(=C4)Cl)O)Cl
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Product OPENEYE NAME: (4aR,6S,7S,7aR)-6-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-hydroxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-7-ol
CAS Name: (4aR,6S,7S,7aR)-6-(4-amino-7-imidazo[2,1-f][1,2,4]triazinyl)-2-hydroxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphorin-7-ol
IUPAC NAME: (4aR,6S,7S,7aR)-6-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-hydroxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-7-ol
SYSTEMATIC NAME: (4aR,6S,7S,7aR)-6-(4-azanylimidazo[2,1-f][1,2,4]triazin-7-yl)-7-methyl-2-oxidanyl-2-oxidanylidene-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-7-ol
MOLECULAR FORMULA: C11H14N5O6P
MOLECULAR WEIGHT: 343.232521
SMILES: C[C@]1([C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1C3=CN=C4N3N=CN=C4N)O
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