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MOLECULAR FORMULA: C10H13N3OS
MOLECULAR WEIGHT: 223.29472
SMILES: CN1C(=O)C2=C(C=N1)N3CCC[C@H]3CS2
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MOLECULAR FORMULA: C10H13N3O2
MOLECULAR WEIGHT: 207.22912
SMILES: CN1C(=O)C2=C(C=N1)OC[C@H]3N2CCC3
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Product OPENEYE NAME: tert-butyl N-[2-[[9-amino-1-[2-(diethylamino)ethylamino]-6-oxo-thioxanthen-4-yl]amino]-2-oxo-ethyl]carbamate
CAS Name: N-[2-[[9-amino-1-[2-(diethylamino)ethylamino]-6-oxo-4-thioxanthenyl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[2-[[9-amino-1-[2-(diethylamino)ethylamino]-6-oxothioxanthen-4-yl]amino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-[[9-azanyl-1-[2-(diethylamino)ethylamino]-6-oxidanylidene-thioxanthen-4-yl]amino]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C26H35N5O4S
MOLECULAR WEIGHT: 513.6522
SMILES: CCN(CC)CCNC1=C2C(=C3C=CC(=O)C=C3SC2=C(C=C1)NC(=O)CNC(=O)OC(C)(C)C)N
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Product OPENEYE NAME: [(2R,3R,5R)-3-acetoxy-5-[2,4-dioxo-5-(5-phenyl-2-thienyl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,5R)-3-acetyloxy-5-[2,4-dioxo-5-(5-phenyl-2-thiophenyl)-1-pyrimidinyl]-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,5R)-3-acetyloxy-5-[2,4-dioxo-5-(5-phenylthiophen-2-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,5R)-3-acetyloxy-5-[2,4-bis(oxidanylidene)-5-(5-phenylthiophen-2-yl)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C23H22N2O7S
MOLECULAR WEIGHT: 470.49498
SMILES: CC(=O)OC[C@@H]1[C@@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C3=CC=C(S3)C4=CC=CC=C4)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,5R)-3-acetoxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,5R)-3-acetyloxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,5R)-3-acetyloxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,5R)-3-acetyloxy-5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C13H15IN2O7
MOLECULAR WEIGHT: 438.17187
SMILES: CC(=O)OC[C@@H]1[C@@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)OC(=O)C
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Product OPENEYE NAME: (4R,5S)-4-ethyl-4,5-dihydroxy-5-methyl-cyclopent-2-en-1-one
CAS Name: (4R,5S)-4-ethyl-4,5-dihydroxy-5-methyl-1-cyclopent-2-enone
IUPAC NAME: (4R,5S)-4-ethyl-4,5-dihydroxy-5-methylcyclopent-2-en-1-one
SYSTEMATIC NAME: (4R,5S)-4-ethyl-5-methyl-4,5-bis(oxidanyl)cyclopent-2-en-1-one
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CC[C@]1(C=CC(=O)[C@@]1(C)O)O
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Product OPENEYE NAME: 7-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-2-phenylselanyl-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
CAS Name: 7-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-2-(phenylseleno)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
IUPAC NAME: 7-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-2-phenylselanyl-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
SYSTEMATIC NAME: 7-chloranyl-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-2-phenylselanyl-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
MOLECULAR FORMULA: C19H16ClFN2O3Se
MOLECULAR WEIGHT: 453.753343
SMILES: CC1=C2C(=O)C(C(N(C2=NC(=C1F)Cl)C3CC3)[Se]C4=CC=CC=C4)C(=O)O
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MOLECULAR FORMULA: C16H19NO6
MOLECULAR WEIGHT: 321.32516
SMILES: CC1=C[C@@]2([C@H]3[C@@H]([C@H]1C(C2C(=O)OC)C(=O)OC)C(=O)NC3=O)C
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Product OPENEYE NAME: O1-[(1S,2R)-2-hydroxycyclopentyl] O3-[(1R,2S)-2-hydroxycyclopentyl] propanedioate
CAS Name: propanedioic acid O1-[(1S,2R)-2-hydroxycyclopentyl] ester O3-[(1R,2S)-2-hydroxycyclopentyl] ester
IUPAC NAME: 1-O-[(1S,2R)-2-hydroxycyclopentyl] 3-O-[(1R,2S)-2-hydroxycyclopentyl] propanedioate
SYSTEMATIC NAME: O1-[(1S,2R)-2-oxidanylcyclopentyl] O3-[(1R,2S)-2-oxidanylcyclopentyl] propanedioate
MOLECULAR FORMULA: C13H20O6
MOLECULAR WEIGHT: 272.2943
SMILES: C1C[C@H]([C@H](C1)OC(=O)CC(=O)O[C@@H]2CCC[C@@H]2O)O
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Product OPENEYE NAME: O1-[(1S,2R)-2-hydroxycyclohexyl] O3-[(1R,2S)-2-hydroxycyclohexyl] propanedioate
CAS Name: propanedioic acid O1-[(1S,2R)-2-hydroxycyclohexyl] ester O3-[(1R,2S)-2-hydroxycyclohexyl] ester
IUPAC NAME: 1-O-[(1S,2R)-2-hydroxycyclohexyl] 3-O-[(1R,2S)-2-hydroxycyclohexyl] propanedioate
SYSTEMATIC NAME: O1-[(1S,2R)-2-oxidanylcyclohexyl] O3-[(1R,2S)-2-oxidanylcyclohexyl] propanedioate
MOLECULAR FORMULA: C15H24O6
MOLECULAR WEIGHT: 300.34746
SMILES: C1CC[C@@H]([C@@H](C1)O)OC(=O)CC(=O)O[C@@H]2CCCC[C@@H]2O
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Product OPENEYE NAME: O1-[(1R,2S)-2-hydroxycycloheptyl] O3-[(1S,2R)-2-hydroxycycloheptyl] propanedioate
CAS Name: propanedioic acid O1-[(1R,2S)-2-hydroxycycloheptyl] ester O3-[(1S,2R)-2-hydroxycycloheptyl] ester
IUPAC NAME: 1-O-[(1R,2S)-2-hydroxycycloheptyl] 3-O-[(1S,2R)-2-hydroxycycloheptyl] propanedioate
SYSTEMATIC NAME: O1-[(1R,2S)-2-oxidanylcycloheptyl] O3-[(1S,2R)-2-oxidanylcycloheptyl] propanedioate
MOLECULAR FORMULA: C17H28O6
MOLECULAR WEIGHT: 328.40062
SMILES: C1CC[C@H]([C@H](CC1)OC(=O)CC(=O)O[C@@H]2CCCCC[C@@H]2O)O
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Product OPENEYE NAME: O1-[(1S,2S)-2-hydroxycyclopentyl] O3-[(1R,2R)-2-hydroxycyclopentyl] propanedioate
CAS Name: propanedioic acid O1-[(1S,2S)-2-hydroxycyclopentyl] ester O3-[(1R,2R)-2-hydroxycyclopentyl] ester
IUPAC NAME: 1-O-[(1S,2S)-2-hydroxycyclopentyl] 3-O-[(1R,2R)-2-hydroxycyclopentyl] propanedioate
SYSTEMATIC NAME: O1-[(1S,2S)-2-oxidanylcyclopentyl] O3-[(1R,2R)-2-oxidanylcyclopentyl] propanedioate
MOLECULAR FORMULA: C13H20O6
MOLECULAR WEIGHT: 272.2943
SMILES: C1C[C@H]([C@@H](C1)OC(=O)CC(=O)O[C@H]2CCC[C@@H]2O)O
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Product OPENEYE NAME: O1-[(1S,2S)-2-hydroxycyclohexyl] O3-[(1R,2R)-2-hydroxycyclohexyl] propanedioate
CAS Name: propanedioic acid O1-[(1S,2S)-2-hydroxycyclohexyl] ester O3-[(1R,2R)-2-hydroxycyclohexyl] ester
IUPAC NAME: 1-O-[(1S,2S)-2-hydroxycyclohexyl] 3-O-[(1R,2R)-2-hydroxycyclohexyl] propanedioate
SYSTEMATIC NAME: O1-[(1S,2S)-2-oxidanylcyclohexyl] O3-[(1R,2R)-2-oxidanylcyclohexyl] propanedioate
MOLECULAR FORMULA: C15H24O6
MOLECULAR WEIGHT: 300.34746
SMILES: C1CC[C@H]([C@@H](C1)O)OC(=O)CC(=O)O[C@H]2CCCC[C@@H]2O
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Product OPENEYE NAME: O1-[(1R,2R)-2-hydroxycycloheptyl] O3-[(1S,2S)-2-hydroxycycloheptyl] propanedioate
CAS Name: propanedioic acid O1-[(1R,2R)-2-hydroxycycloheptyl] ester O3-[(1S,2S)-2-hydroxycycloheptyl] ester
IUPAC NAME: 1-O-[(1R,2R)-2-hydroxycycloheptyl] 3-O-[(1S,2S)-2-hydroxycycloheptyl] propanedioate
SYSTEMATIC NAME: O1-[(1R,2R)-2-oxidanylcycloheptyl] O3-[(1S,2S)-2-oxidanylcycloheptyl] propanedioate
MOLECULAR FORMULA: C17H28O6
MOLECULAR WEIGHT: 328.40062
SMILES: C1CC[C@H]([C@@H](CC1)OC(=O)CC(=O)O[C@H]2CCCCC[C@@H]2O)O
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Product OPENEYE NAME: N-[(1S,2S)-2-aminocyclohexyl]-N'-[(1R,2R)-2-aminocyclohexyl]propanediamide
CAS Name: N-[(1S,2S)-2-aminocyclohexyl]-N'-[(1R,2R)-2-aminocyclohexyl]propanediamide
IUPAC NAME: N-[(1S,2S)-2-aminocyclohexyl]-N'-[(1R,2R)-2-aminocyclohexyl]propanediamide
SYSTEMATIC NAME: N-[(1S,2S)-2-azanylcyclohexyl]-N'-[(1R,2R)-2-azanylcyclohexyl]propanediamide
MOLECULAR FORMULA: C15H28N4O2
MOLECULAR WEIGHT: 296.40842
SMILES: C1CC[C@H]([C@@H](C1)N)NC(=O)CC(=O)N[C@H]2CCCC[C@@H]2N
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MOLECULAR FORMULA: C16H20O8
MOLECULAR WEIGHT: 340.3252
SMILES: C1C[C@@H]2[C@@H](C1)OC(=O)CC(=O)O[C@H]3CCC[C@@H]3OC(=O)CC(=O)O2
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MOLECULAR FORMULA: C18H24O8
MOLECULAR WEIGHT: 368.37836
SMILES: C1CC[C@@H]2[C@@H](C1)OC(=O)CC(=O)O[C@H]3CCCC[C@@H]3OC(=O)CC(=O)O2
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Product OPENEYE NAME: (2Z)-2-[[2-[(E)-(3-aminoindol-2-ylidene)methyl]hydrazino]methylene]indol-3-amine
CAS Name: (2Z)-2-[[[(E)-(3-amino-2-indolylidene)methyl]hydrazo]methylidene]-3-indolamine
IUPAC NAME: (2Z)-2-[[2-[(E)-(3-aminoindol-2-ylidene)methyl]hydrazinyl]methylidene]indol-3-amine
SYSTEMATIC NAME: (2Z)-2-[[2-[(E)-(3-azanylindol-2-ylidene)methyl]hydrazinyl]methylidene]indol-3-amine
MOLECULAR FORMULA: C18H16N6
MOLECULAR WEIGHT: 316.35984
SMILES: C1=CC2=C(/C(=C\NN/C=C\3/C(=C4C=CC=CC4=N3)N)/N=C2C=C1)N
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Product OPENEYE NAME: (3S,4S)-4-benzoyl-3-methyl-1-(4-phenyltriazol-1-yl)azetidin-2-one
CAS Name: (3S,4S)-4-benzoyl-3-methyl-1-(4-phenyl-1-triazolyl)-2-azetidinone
IUPAC NAME: (3S,4S)-4-benzoyl-3-methyl-1-(4-phenyltriazol-1-yl)azetidin-2-one
SYSTEMATIC NAME: (3S,4S)-3-methyl-4-(phenylcarbonyl)-1-(4-phenyl-1,2,3-triazol-1-yl)azetidin-2-one
MOLECULAR FORMULA: C19H16N4O2
MOLECULAR WEIGHT: 332.35594
SMILES: C[C@H]1[C@H](N(C1=O)N2C=C(N=N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (3S,4S)-4-(4-chlorobenzoyl)-3-methyl-1-(4-phenyltriazol-1-yl)azetidin-2-one
CAS Name: (3S,4S)-4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-(4-phenyl-1-triazolyl)-2-azetidinone
IUPAC NAME: (3S,4S)-4-(4-chlorobenzoyl)-3-methyl-1-(4-phenyltriazol-1-yl)azetidin-2-one
SYSTEMATIC NAME: (3S,4S)-4-(4-chlorophenyl)carbonyl-3-methyl-1-(4-phenyl-1,2,3-triazol-1-yl)azetidin-2-one
MOLECULAR FORMULA: C19H15ClN4O2
MOLECULAR WEIGHT: 366.801
SMILES: C[C@H]1[C@H](N(C1=O)N2C=C(N=N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (3S,4S)-4-(4-methoxybenzoyl)-3-methyl-1-(4-phenyltriazol-1-yl)azetidin-2-one
CAS Name: (3S,4S)-4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-(4-phenyl-1-triazolyl)-2-azetidinone
IUPAC NAME: (3S,4S)-4-(4-methoxybenzoyl)-3-methyl-1-(4-phenyltriazol-1-yl)azetidin-2-one
SYSTEMATIC NAME: (3S,4S)-4-(4-methoxyphenyl)carbonyl-3-methyl-1-(4-phenyl-1,2,3-triazol-1-yl)azetidin-2-one
MOLECULAR FORMULA: C20H18N4O3
MOLECULAR WEIGHT: 362.38192
SMILES: C[C@H]1[C@H](N(C1=O)N2C=C(N=N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC
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