Product OPENEYE NAME: 3-(6-phenylsulfanylpurin-7-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
CAS Name: 3-[6-(phenylthio)-7-purinyl]-1,2,3,5-tetrahydro-4,1-benzoxazepine
IUPAC NAME: 3-(6-phenylsulfanylpurin-7-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
SYSTEMATIC NAME: 3-(6-phenylsulfanylpurin-7-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
MOLECULAR FORMULA: C20H17N5OS
MOLECULAR WEIGHT: 375.44688
SMILES: C1C(OCC2=CC=CC=C2N1)N3C=NC4=C3C(=NC=N4)SC5=CC=CC=C5
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Product OPENEYE NAME: 4-fluoro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 4-fluoro-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: 4-fluoro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C16H11FN4O3S2
MOLECULAR WEIGHT: 390.411943
SMILES: C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]
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Product OPENEYE NAME: (4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C28H32FN3O3S
MOLECULAR WEIGHT: 509.635383
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)COC)C=NN4C5=CC=C(C=C5)F
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Product OPENEYE NAME: (4aR)-1-(4-fluorophenyl)-4a-(methoxymethyl)-6-(p-tolylsulfonyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aR)-1-(4-fluorophenyl)-4a-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aR)-1-(4-fluorophenyl)-4a-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aR)-1-(4-fluorophenyl)-4a-(methoxymethyl)-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C25H26FN3O3S
MOLECULAR WEIGHT: 467.555643
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)COC)C=NN4C5=CC=C(C=C5)F
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Product OPENEYE NAME: N-[2-amino-5-(2-thienyl)phenyl]-4-[(1R)-1,2-diamino-2-oxo-ethyl]benzamide
CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(1R)-1,2-diamino-2-oxoethyl]benzamide
IUPAC NAME: N-(2-amino-5-thiophen-2-ylphenyl)-4-[(1R)-1,2-diamino-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[(1R)-1,2-bis(azanyl)-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C19H18N4O2S
MOLECULAR WEIGHT: 366.43682
SMILES: C1=CSC(=C1)C2=CC(=C(C=C2)N)NC(=O)C3=CC=C(C=C3)[C@H](C(=O)N)N
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Product OPENEYE NAME: (2S)-2-[[[(2S)-2-carboxy-2-hydroxy-ethyl]-isobutyl-carbamoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2S)-2-[[[[(2S)-2-carboxy-2-hydroxyethyl]-(2-methylpropyl)amino]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-(2-methylpropyl)carbamoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[[(2S)-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]-(2-methylpropyl)carbamoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C19H25N3O6
MOLECULAR WEIGHT: 391.4183
SMILES: CC(C)CN(C[C@@H](C(=O)O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
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Product OPENEYE NAME: 2-(3,4-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methyl-2-furyl)pyrimidin-4-yl]acetamide
CAS Name: 2-(3,4-difluorophenyl)-N-[6-(3,5-dimethyl-1-pyrazolyl)-2-(5-methyl-2-furanyl)-4-pyrimidinyl]acetamide
IUPAC NAME: 2-(3,4-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SYSTEMATIC NAME: 2-[3,4-bis(fluoranyl)phenyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]ethanamide
MOLECULAR FORMULA: C22H19F2N5O2
MOLECULAR WEIGHT: 423.415366
SMILES: CC1=CC=C(O1)C2=NC(=CC(=N2)NC(=O)CC3=CC(=C(C=C3)F)F)N4C(=CC(=N4)C)C
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Product OPENEYE NAME: 1-benzyl-7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1-(phenylmethyl)-5-pyrrolo[3,2-b]pyridinecarboxamide
IUPAC NAME: 1-benzyl-7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethylpyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C28H32N4O
MOLECULAR WEIGHT: 440.57988
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2N(C(=C3C)C)CC4=CC=CC=C4)C(=O)N(C)C
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Product OPENEYE NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-tert-butyl-5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-4-methyl-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-methylcyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C19H22N4OS
MOLECULAR WEIGHT: 354.46918
SMILES: CC1=C/C(=C/2\C(=CN=C(N2)C(C)(C)C)SC3=NC=CN3C)/C(=O)C=C1
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Product OPENEYE NAME: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylthio)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H17N5OS
MOLECULAR WEIGHT: 327.40408
SMILES: CC(C)(C)C1=NC=C(/C(=C/2\C=CC=CC2=O)/N1)SC3=NC=NN3
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Product OPENEYE NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-tert-butyl-5-[(1-methyl-2-imidazolyl)thio]-1H-pyrimidin-6-ylidene]-4-chloro-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-chlorocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-tert-butyl-5-(1-methylimidazol-2-yl)sulfanyl-1H-pyrimidin-6-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H19ClN4OS
MOLECULAR WEIGHT: 374.88766
SMILES: CC(C)(C)C1=NC=C(/C(=C/2\C=C(C=CC2=O)Cl)/N1)SC3=NC=CN3C
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Product OPENEYE NAME: (6Z)-4-methoxy-6-[5-(1-methylimidazol-2-yl)sulfanyl-2-methylsulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-methoxy-6-[5-[(1-methyl-2-imidazolyl)thio]-2-(methylthio)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-methoxy-6-[5-(1-methylimidazol-2-yl)sulfanyl-2-methylsulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-methoxy-6-[5-(1-methylimidazol-2-yl)sulfanyl-2-methylsulfanyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H16N4O2S2
MOLECULAR WEIGHT: 360.45384
SMILES: CN1C=CN=C1SC\2=CN=C(N/C2=C\3/C=C(C=CC3=O)OC)SC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C80H112N20O22
MOLECULAR WEIGHT: 1705.86608
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N4C[C@H](C[C@H]4C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCC
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