CAS RN: 106006-84-2
CAS Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
OPENEYE Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
IUPAC Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
SYSTEMATIC NAME: N-[(6S)-2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
MOLECULAR FORMULA: C10H15N3OS
MOLECULAR WEIGHT: 225.3106
SMILES: CCC(=O)N[C@H]1CCC2=C(C1)SC(=N2)N
Structure:
CAS RN: 106006-85-3
CAS Name: N-[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
OPENEYE Name: N-[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
IUPAC Name: N-[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
SYSTEMATIC NAME: N-[(6R)-2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
MOLECULAR FORMULA: C10H15N3OS
MOLECULAR WEIGHT: 225.3106
SMILES: CCC(=O)N[C@@H]1CCC2=C(C1)SC(=N2)N
Structure:
CAS RN: 939793-18-7
CAS Name: 2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
OPENEYE Name: 2-[5-(trifluoromethyl)-2-pyridyl]acetonitrile
IUPAC Name: 2-[5-(trifluoromethyl)pyridin-2-yl]acetonitrile
SYSTEMATIC NAME: 2-[5-(trifluoromethyl)pyridin-2-yl]ethanenitrile
MOLECULAR FORMULA: C8H5F3N2
MOLECULAR WEIGHT: 186.13391
SMILES: C1=CC(=NC=C1C(F)(F)F)CC#N
Structure:
CAS RN: 914612-23-0
CAS Name: 4-chloro-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
OPENEYE Name: 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
IUPAC Name: 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
MOLECULAR FORMULA: C14H14ClN3
MOLECULAR WEIGHT: 259.73406
SMILES: C1CN(CC2=C1N=CN=C2Cl)CC3=CC=CC=C3
Structure:
CAS RN: 743419-80-9
CAS Name: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
OPENEYE Name: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SYSTEMATIC NAME: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
MOLECULAR FORMULA: C7H8F3N3
MOLECULAR WEIGHT: 191.15373
SMILES: C1CNCC2=C1NN=C2C(F)(F)F
Structure:
CAS RN: 114821-24-8
CAS Name: 2-iodo-4-pyridinecarbonitrile
OPENEYE Name: 2-iodopyridine-4-carbonitrile
IUPAC Name: 2-iodopyridine-4-carbonitrile
SYSTEMATIC NAME: 2-iodanylpyridine-4-carbonitrile
MOLECULAR FORMULA: C6H3IN2
MOLECULAR WEIGHT: 230.00589
SMILES: C1=CN=C(C=C1C#N)I
Structure:
CAS RN: 913836-16-5
CAS Name: 5-bromo-2-oxo-1H-pyridine-4-carboxylic acid
OPENEYE Name: 5-bromo-2-oxo-1H-pyridine-4-carboxylic acid
IUPAC Name: 5-bromo-2-oxo-1H-pyridine-4-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-2-oxidanylidene-1H-pyridine-4-carboxylic acid
MOLECULAR FORMULA: C6H4BrNO3
MOLECULAR WEIGHT: 218.00486
SMILES: C1=C(C(=CNC1=O)Br)C(=O)O
Structure:
CAS RN: 303755-92-2
CAS Name: 4-chloro-N-[(2R)-2-(4-morpholin-4-iumyl)-2-phenylethyl]benzenesulfonamide
OPENEYE Name: 4-chloro-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzenesulfonamide
IUPAC Name: 4-chloro-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenylethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzenesulfonamide
MOLECULAR FORMULA: C18H22ClN2O3S+
MOLECULAR WEIGHT: 381.89688
SMILES: C1COCC[NH+]1[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 303755-92-2
CAS Name: 4-chloro-N-[(2S)-2-(4-morpholin-4-iumyl)-2-phenylethyl]benzenesulfonamide
OPENEYE Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzenesulfonamide
IUPAC Name: 4-chloro-N-[(2S)-2-morpholin-4-ium-4-yl-2-phenylethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzenesulfonamide
MOLECULAR FORMULA: C18H22ClN2O3S+
MOLECULAR WEIGHT: 381.89688
SMILES: C1COCC[NH+]1[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 177966-64-2
CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(4-fluorophenyl)propanoate
OPENEYE Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoate
IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoate
SYSTEMATIC NAME: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoate
MOLECULAR FORMULA: C24H19FNO4-
MOLECULAR WEIGHT: 404.410363
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)F)C(=O)[O-]
Structure:
CAS RN: 142994-19-2
CAS Name: (2R)-3-(4-chlorophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoate
OPENEYE Name: (2R)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
IUPAC Name: (2R)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: (2R)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C24H19ClNO4-
MOLECULAR WEIGHT: 420.86496
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)Cl)C(=O)[O-]
Structure:
CAS RN: 175453-08-4
CAS Name: (2S)-3-(4-chlorophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoate
OPENEYE Name: (2S)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
IUPAC Name: (2S)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: (2S)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C24H19ClNO4-
MOLECULAR WEIGHT: 420.86496
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)Cl)C(=O)[O-]
Structure:
CAS RN: 26028-63-7
CAS Name: 5-(3-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
OPENEYE Name: 5-(3-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
IUPAC Name: 5-(3-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
SYSTEMATIC NAME: 5-(3-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
MOLECULAR FORMULA: C10H9ClN3S-
MOLECULAR WEIGHT: 238.71656
SMILES: CCN1C(=NN=C1[S-])C2=CC(=CC=C2)Cl
Structure:
CAS RN: 72702-95-5
CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetate
OPENEYE Name: 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetate
IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetate
SYSTEMATIC NAME: 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate
MOLECULAR FORMULA: C17H11BrFN2O3-
MOLECULAR WEIGHT: 390.183243
SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)[O-]
Structure:
CAS RN: 83846-83-7
CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidin-1-iumyl]ethyl]-1H-quinazoline-2,4-dione
OPENEYE Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-dione
IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C22H23FN3O3+
MOLECULAR WEIGHT: 396.434723
SMILES: C1C[NH+](CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O
Structure:
CAS RN: 353746-54-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12NO4-
MOLECULAR WEIGHT: 234.22798
SMILES: C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)C=C3
Structure:
CAS RN: 205985-93-9
CAS Name: (2R,4S)-2-phenyl-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2R,4S)-2-phenylthiazolidin-3-ium-4-carboxylate
IUPAC Name: (2R,4S)-2-phenyl-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2R,4S)-2-phenyl-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C10H11NO2S
MOLECULAR WEIGHT: 209.26484
SMILES: C1[C@@H]([NH2+][C@H](S1)C2=CC=CC=C2)C(=O)[O-]
Structure:
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