CAS RN: 59813-89-7
CAS Name: 2-(ethylthio)-1,3-benzothiazol-6-amine
OPENEYE Name: 2-ethylsulfanyl-1,3-benzothiazol-6-amine
IUPAC Name: 2-ethylsulfanyl-1,3-benzothiazol-6-amine
SYSTEMATIC NAME: 2-ethylsulfanyl-1,3-benzothiazol-6-amine
MOLECULAR FORMULA: C9H10N2S2
MOLECULAR WEIGHT: 210.3191
SMILES: CCSC1=NC2=C(S1)C=C(C=C2)N
Structure:
CAS RN: 343349-20-2
CAS Name: 4-chloro-2-phenyl-5-pyrimidinecarboxylic acid
OPENEYE Name: 4-chloro-2-phenyl-pyrimidine-5-carboxylic acid
IUPAC Name: 4-chloro-2-phenylpyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 4-chloranyl-2-phenyl-pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C11H7ClN2O2
MOLECULAR WEIGHT: 234.63848
SMILES: C1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O
Structure:
CAS RN: 41270-65-9
CAS Name: 2-chloro-3-phenylpyrazine
OPENEYE Name: 2-chloro-3-phenyl-pyrazine
IUPAC Name: 2-chloro-3-phenylpyrazine
SYSTEMATIC NAME: 2-chloranyl-3-phenyl-pyrazine
MOLECULAR FORMULA: C10H7ClN2
MOLECULAR WEIGHT: 190.62898
SMILES: C1=CC=C(C=C1)C2=NC=CN=C2Cl
Structure:
CAS RN: 56241-09-9
CAS Name: 4-chloro-2H-isoquinolin-1-one
OPENEYE Name: 4-chloro-2H-isoquinolin-1-one
IUPAC Name: 4-chloro-2H-isoquinolin-1-one
SYSTEMATIC NAME: 4-chloranyl-2H-isoquinolin-1-one
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC=C2C(=C1)C(=CNC2=O)Cl
Structure:
CAS RN: 26893-72-1
CAS Name: 6-acetamido-2-pyridinecarboxylic acid
OPENEYE Name: 6-acetamidopyridine-2-carboxylic acid
IUPAC Name: 6-acetamidopyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-acetamidopyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H8N2O3
MOLECULAR WEIGHT: 180.16072
SMILES: CC(=O)NC1=CC=CC(=N1)C(=O)O
Structure:
CAS RN: 1458-03-3
CAS Name: 3-amino-6-chloro-2-pyrazinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-6-chloro-pyrazine-2-carboxylate
IUPAC Name: methyl 3-amino-6-chloropyrazine-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-6-chloranyl-pyrazine-2-carboxylate
MOLECULAR FORMULA: C6H6ClN3O2
MOLECULAR WEIGHT: 187.58374
SMILES: COC(=O)C1=NC(=CN=C1N)Cl
Structure:
CAS RN: 57266-69-0
CAS Name: 3-chloro-2-pyridinecarboxylic acid
OPENEYE Name: 3-chloropyridine-2-carboxylic acid
IUPAC Name: 3-chloropyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H4ClNO2
MOLECULAR WEIGHT: 157.55446
SMILES: C1=CC(=C(N=C1)C(=O)O)Cl
Structure:
CAS RN: 93323-67-2
CAS Name: 2-(3,5-diphenyl-1-pyrazolyl)acetic acid
OPENEYE Name: 2-(3,5-diphenylpyrazol-1-yl)acetic acid
IUPAC Name: 2-(3,5-diphenylpyrazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,5-diphenylpyrazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: C1=CC=C(C=C1)C2=CC(=NN2CC(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 5634-35-5
CAS Name: (E)-N-(3-dibenzofuranyl)-3-(4-methoxyphenyl)-2-propenamide
OPENEYE Name: (E)-N-dibenzofuran-3-yl-3-(4-methoxyphenyl)prop-2-enamide
IUPAC Name: (E)-N-dibenzofuran-3-yl-3-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-dibenzofuran-3-yl-3-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C22H17NO3
MOLECULAR WEIGHT: 343.37528
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3
Structure:
CAS RN: 2180-05-4
CAS Name: 4-tert-butyl-3H-thiazole-2-thione
OPENEYE Name: 4-tert-butyl-3H-thiazole-2-thione
IUPAC Name: 4-tert-butyl-3H-1,3-thiazole-2-thione
SYSTEMATIC NAME: 4-tert-butyl-3H-1,3-thiazole-2-thione
MOLECULAR FORMULA: C7H11NS2
MOLECULAR WEIGHT: 173.29894
SMILES: CC(C)(C)C1=CSC(=S)N1
Structure:
CAS RN: 187884-91-9
CAS Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CC1(CC2=CC=CC=C2C(=N1)N[C@@H](CC3=CC=CC=C3)C(=O)O)C
Structure:
CAS RN: 54344-92-2
CAS Name: 4-methoxy-2,3,6-trimethylbenzaldehyde
OPENEYE Name: 4-methoxy-2,3,6-trimethyl-benzaldehyde
IUPAC Name: 4-methoxy-2,3,6-trimethylbenzaldehyde
SYSTEMATIC NAME: 4-methoxy-2,3,6-trimethyl-benzaldehyde
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC(=C(C(=C1C=O)C)C)OC
Structure:
CAS RN: 113106-31-3
CAS Name: N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide
OPENEYE Name: N-isopropyl-1,2,3,4-tetrahydroacridine-9-carboxamide
IUPAC Name: N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide
SYSTEMATIC NAME: N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: CC(C)NC(=O)C1=C2CCCCC2=NC3=CC=CC=C31
Structure:
CAS RN: 6081-87-4
CAS Name: 2-chloro-N-[4-(4-methylphenyl)-2-thiazolyl]acetamide
OPENEYE Name: 2-chloro-N-[4-(p-tolyl)thiazol-2-yl]acetamide
IUPAC Name: 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanamide
MOLECULAR FORMULA: C12H11ClN2OS
MOLECULAR WEIGHT: 266.74654
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
Structure:
CAS RN: 170658-21-6
CAS Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
OPENEYE Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(o-tolyl)acetamide
IUPAC Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
SYSTEMATIC NAME: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)ethanamide
MOLECULAR FORMULA: C20H22N2O
MOLECULAR WEIGHT: 306.40148
SMILES: CC1=CC=CC=C1NC(=O)/C=C/2\C3=CC=CC=C3CC(N2)(C)C
Structure:
CAS RN: 76646-42-9
CAS Name: 3-(hydroxymethyl)-4-methoxybenzaldehyde
OPENEYE Name: 3-(hydroxymethyl)-4-methoxy-benzaldehyde
IUPAC Name: 3-(hydroxymethyl)-4-methoxybenzaldehyde
SYSTEMATIC NAME: 3-(hydroxymethyl)-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: COC1=C(C=C(C=C1)C=O)CO
Structure:
CAS RN: 36974-65-9
CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid
OPENEYE Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid
IUPAC Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid
SYSTEMATIC NAME: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid
MOLECULAR FORMULA: C9H10ClNO4S
MOLECULAR WEIGHT: 263.698
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCC(=O)O)Cl
Structure:
CAS RN: 39989-34-9
CAS Name: 1-(1-phenyl-4-pyrazolyl)ethanone
OPENEYE Name: 1-(1-phenylpyrazol-4-yl)ethanone
IUPAC Name: 1-(1-phenylpyrazol-4-yl)ethanone
SYSTEMATIC NAME: 1-(1-phenylpyrazol-4-yl)ethanone
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC(=O)C1=CN(N=C1)C2=CC=CC=C2
Structure:
CAS RN: 108966-71-8
CAS Name: 3,4-difluorobenzenesulfonamide
OPENEYE Name: 3,4-difluorobenzenesulfonamide
IUPAC Name: 3,4-difluorobenzenesulfonamide
SYSTEMATIC NAME: 3,4-bis(fluoranyl)benzenesulfonamide
MOLECULAR FORMULA: C6H5F2NO2S
MOLECULAR WEIGHT: 193.171206
SMILES: C1=CC(=C(C=C1S(=O)(=O)N)F)F
Structure:
CAS RN: 481-82-3
CAS Name: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
OPENEYE Name: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
IUPAC Name: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
SYSTEMATIC NAME: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
MOLECULAR FORMULA: C12H10O4
MOLECULAR WEIGHT: 218.2054
SMILES: C1=CC=C(C=C1)/C=C/C=C(C(=O)O)C(=O)O
Structure:
CAS RN: 4472-92-8
CAS Name: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
OPENEYE Name: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
IUPAC Name: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
SYSTEMATIC NAME: 2-[(E)-3-phenylprop-2-enylidene]propanedioic acid
MOLECULAR FORMULA: C12H10O4
MOLECULAR WEIGHT: 218.2054
SMILES: C1=CC=C(C=C1)/C=C/C=C(C(=O)O)C(=O)O
Structure:
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