Product OPENEYE NAME: (2S)-2-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[oxo-[4-[3-(2,4,6-triamino-5-pyrimidinyl)-1-pyrrolidinyl]phenyl]methyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]pyrrolidin-1-yl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H25N7O5
MOLECULAR WEIGHT: 443.4564
SMILES: C1CN(CC1C2=C(N=C(N=C2N)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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Product OPENEYE NAME: tert-butyl 4-(4-oxo-1-piperidyl)benzoate
CAS Name: 4-(4-oxo-1-piperidinyl)benzoic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-(4-oxopiperidin-1-yl)benzoate
SYSTEMATIC NAME: tert-butyl 4-(4-oxidanylidenepiperidin-1-yl)benzoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(=O)CC2
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-pyrrolidinyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrolidin-1-yl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C24H32N6O6
MOLECULAR WEIGHT: 500.54748
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCC(C2)C3=C(NC(=NC3=O)N)N
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Product OPENEYE NAME: tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxo-ethyl)pyrrol-1-yl]benzoate
CAS Name: 4-[3-(1-cyano-2-ethoxy-2-oxoethyl)-1-pyrrolyl]benzoic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxoethyl)pyrrol-1-yl]benzoate
SYSTEMATIC NAME: tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)pyrrol-1-yl]benzoate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CCOC(=O)C(C#N)C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxo-ethyl)-1-piperidyl]benzoate
CAS Name: 4-[4-(1-cyano-2-ethoxy-2-oxoethyl)-1-piperidinyl]benzoic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxoethyl)piperidin-1-yl]benzoate
SYSTEMATIC NAME: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidin-1-yl]benzoate
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: CCOC(=O)C(C#N)C1CCN(CC1)C2=CC=C(C=C2)C(=O)OC(C)(C)C
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Product OPENEYE NAME: ditert-butyl (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidyl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidinyl]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester
IUPAC NAME: ditert-butyl (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: ditert-butyl (2S)-2-[[4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]piperidin-1-yl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C29H42N6O6
MOLECULAR WEIGHT: 570.68038
SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=C(NC(=NC3=O)N)N
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[oxo-[4-[3-(2,4,6-triamino-5-pyrimidinyl)-1-pyrrolidinyl]phenyl]methyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]pyrrolidin-1-yl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C24H33N7O5
MOLECULAR WEIGHT: 499.56272
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCC(C2)C3=C(N=C(N=C3N)N)N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: CN1CC2=CC3C=CC2(C1=O)C4=CC=CC=C34
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Product OPENEYE NAME: 4-methylbenzo[h]isoquinoline
CAS Name: 4-methylbenzo[h]isoquinoline
IUPAC NAME: 4-methylbenzo[h]isoquinoline
SYSTEMATIC NAME: 4-methylbenzo[h]isoquinoline
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: CC1=C2C=CC3=CC=CC=C3C2=CN=C1
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CN1CC2=CC3C=CC2(C1)C4=CC=CC=C34
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MOLECULAR FORMULA: C15H17N
MOLECULAR WEIGHT: 211.30218
SMILES: CN1CC2=CC3CCC2(C1)C4=CC=CC=C34
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MOLECULAR FORMULA: C15H19N
MOLECULAR WEIGHT: 213.31806
SMILES: CN1CC2CC3CCC2(C1)C4=CC=CC=C34
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MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CN1CCC2=CC3C=CC2(C1=O)C4=CC=CC=C34
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: CN1CC2=CC3C=CC2(CC1=O)C4=C3C(=CC=C4)OC
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MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: CN1CC2=CC3C=CC2(CC1=O)C4=C3C=C(C=C4)OC
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