Product OPENEYE NAME: N-cyano-4-[2-(5-methylpyrazol-1-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine
CAS Name: N-cyano-N'-(2-methylphenyl)-4-[2-(5-methyl-1-pyrazolyl)-1-oxoethyl]-3-phenyl-1-piperazinecarboximidamide
IUPAC NAME: N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
SYSTEMATIC NAME: N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)ethanoyl]-3-phenyl-piperazine-1-carboximidamide
MOLECULAR FORMULA: C25H27N7O
MOLECULAR WEIGHT: 441.52818
SMILES: CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CN4C(=CC=N4)C
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Product OPENEYE NAME: dimethyl 1-[(6aS,8S)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]triazole-4,5-dicarboxylate
CAS Name: 1-[(6aS,8S)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]triazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 1-[(6aS,8S)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-[(6aS,8S)-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C18H17N5O5
MOLECULAR WEIGHT: 383.35808
SMILES: COC(=O)C1=C(N(N=N1)[C@H]2C[C@H]3C=NC4=CC=CC=C4C(=O)N3C2)C(=O)OC
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Product OPENEYE NAME: dimethyl 1-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentyl]triazole-4,5-dicarboxylate
CAS Name: 1-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentyl]triazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 1-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentyl]triazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-[5-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentyl]-1,2,3-triazole-4,5-dicarboxylate
MOLECULAR FORMULA: C24H29N5O7
MOLECULAR WEIGHT: 499.51636
SMILES: COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCCCN4C(=C(N=N4)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: 2-[4-[(4-amino-2-cyclopropyl-pyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethanol
CAS Name: 2-[4-[(4-amino-2-cyclopropyl-5-pyrimidinyl)methyl]-3-methyl-2-thiophenyl]ethanol
IUPAC NAME: 2-[4-[(4-amino-2-cyclopropylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
SYSTEMATIC NAME: 2-[4-[(4-azanyl-2-cyclopropyl-pyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethanol
MOLECULAR FORMULA: C15H19N3OS
MOLECULAR WEIGHT: 289.39586
SMILES: CC1=C(SC=C1CC2=CN=C(N=C2N)C3CC3)CCO
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Product OPENEYE NAME: 2-[4-[[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-3-methyl-2-thienyl]ethanol
CAS Name: 2-[4-[[4-amino-2-(trifluoromethyl)-5-pyrimidinyl]methyl]-3-methyl-2-thiophenyl]ethanol
IUPAC NAME: 2-[4-[[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-3-methylthiophen-2-yl]ethanol
SYSTEMATIC NAME: 2-[4-[[4-azanyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-3-methyl-thiophen-2-yl]ethanol
MOLECULAR FORMULA: C13H14F3N3OS
MOLECULAR WEIGHT: 317.32997
SMILES: CC1=C(SC=C1CC2=CN=C(N=C2N)C(F)(F)F)CCO
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Product OPENEYE NAME: 2-[4-[(4-amino-2-isopropyl-pyrimidin-5-yl)methyl]-3-methyl-2-thienyl]ethanol
CAS Name: 2-[4-[(4-amino-2-propan-2-yl-5-pyrimidinyl)methyl]-3-methyl-2-thiophenyl]ethanol
IUPAC NAME: 2-[4-[(4-amino-2-propan-2-ylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
SYSTEMATIC NAME: 2-[4-[(4-azanyl-2-propan-2-yl-pyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethanol
MOLECULAR FORMULA: C15H21N3OS
MOLECULAR WEIGHT: 291.41174
SMILES: CC1=C(SC=C1CC2=CN=C(N=C2N)C(C)C)CCO
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Product OPENEYE NAME: 7-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-5-[(2-methylthiazol-4-yl)methylsulfanyl]-3H-thiazolo[4,5-d]pyrimidin-2-one
CAS Name: 7-[[(2R)-1-hydroxypropan-2-yl]amino]-5-[(2-methyl-4-thiazolyl)methylthio]-3H-thiazolo[4,5-d]pyrimidin-2-one
IUPAC NAME: 7-[[(2R)-1-hydroxypropan-2-yl]amino]-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SYSTEMATIC NAME: 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-7-[[(2R)-1-oxidanylpropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
MOLECULAR FORMULA: C13H15N5O2S3
MOLECULAR WEIGHT: 369.4855
SMILES: CC1=NC(=CS1)CSC2=NC3=C(C(=N2)N[C@H](C)CO)SC(=O)N3
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Product OPENEYE NAME: [(3R,4S,5S)-2,3-diacetoxy-5-azido-tetrahydropyran-4-yl] acetate
CAS Name: acetic acid [(3R,4S,5S)-2,3-diacetyloxy-5-azido-4-oxanyl] ester
IUPAC NAME: [(3R,4S,5S)-2,3-diacetyloxy-5-azidooxan-4-yl] acetate
SYSTEMATIC NAME: [(3R,4S,5S)-2,3-diacetyloxy-5-azido-oxan-4-yl] ethanoate
MOLECULAR FORMULA: C11H15N3O7
MOLECULAR WEIGHT: 301.2527
SMILES: CC(=O)O[C@H]1[C@H](COC([C@@H]1OC(=O)C)OC(=O)C)N=[N+]=[N-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19ClN2O2S2
MOLECULAR WEIGHT: 382.92796
SMILES: C1CC2(CC3=CC=CC=C3CC1C2NS(=O)(=O)C4=CC=C(S4)Cl)N
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Product OPENEYE NAME: N-[4-[4-amino-6-(3-pyridyl)furo[2,3-d]pyrimidin-5-yl]phenyl]benzenesulfonamide
CAS Name: N-[4-[4-amino-6-(3-pyridinyl)-5-furo[2,3-d]pyrimidinyl]phenyl]benzenesulfonamide
IUPAC NAME: N-[4-(4-amino-6-pyridin-3-ylfuro[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[4-(4-azanyl-6-pyridin-3-yl-furo[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C23H17N5O3S
MOLECULAR WEIGHT: 443.47778
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=C(OC4=NC=NC(=C34)N)C5=CN=CC=C5
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Product OPENEYE NAME: N1-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2R,4S)-4-propyl-2-piperidyl]ethyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
CAS Name: N1-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-propyl-2-piperidinyl]propan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide
IUPAC NAME: 1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-propylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4S)-4-propylpiperidin-2-yl]propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C32H45F2N3O3
MOLECULAR WEIGHT: 557.714806
SMILES: CCC[C@H]1CCN[C@H](C1)[C@H]([C@H](CC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C)C(=O)N(CCC)CCC)O
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