CAS RN: 6945-06-8
CAS Name: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
OPENEYE Name: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
IUPAC Name: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(3-nitrophenyl)methyl]-3H-purine-6-thione
MOLECULAR FORMULA: C12H9N5O2S
MOLECULAR WEIGHT: 287.29716
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 70298-88-3
CAS Name: 2,2-dimethyl-N-(3-pyridinyl)propanamide
OPENEYE Name: 2,2-dimethyl-N-(3-pyridyl)propanamide
IUPAC Name: 2,2-dimethyl-N-pyridin-3-ylpropanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-pyridin-3-yl-propanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)(C)C(=O)NC1=CN=CC=C1
Structure:
CAS RN: 32403-41-1
CAS Name: 1-(1-adamantyl)-3-[(3,4-diethoxyphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(3,4-diethoxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(3,4-diethoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(3,4-diethoxyphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C22H31N3O2S
MOLECULAR WEIGHT: 401.56544
SMILES: CCOC1=C(C=C(C=C1)C=NNC(=S)NC23CC4CC(C2)CC(C4)C3)OCC
Structure:
CAS RN: 7036-28-4
CAS Name: 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate
IUPAC Name: methyl 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate
SYSTEMATIC NAME: methyl 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: CC(C1=CC=CC=C1)N2C(=CNC2=S)C(=O)OC
Structure:
CAS RN: 62175-75-1
CAS Name: 6-(2-oxopropyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-acetonyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(2-oxopropyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(2-oxidanylidenepropyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C7H8N2O2S
MOLECULAR WEIGHT: 184.21562
SMILES: CC(=O)CC1=CC(=O)NC(=S)N1
Structure:
CAS RN: 5399-42-8
CAS Name: 6-methyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione
OPENEYE Name: 6-methyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione
IUPAC Name: 6-methyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 6-methyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C12H9N5O2S
MOLECULAR WEIGHT: 287.29716
SMILES: CC1=NC(=S)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 16510-53-5
CAS Name: azido-(2,3-diphenyl-1-cycloprop-2-enyl)methanone
OPENEYE Name: 2,3-diphenylcycloprop-2-ene-1-carbonyl azide
IUPAC Name: 2,3-diphenylcycloprop-2-ene-1-carbonyl azide
SYSTEMATIC NAME: azido-(2,3-diphenylcycloprop-2-en-1-yl)methanone
MOLECULAR FORMULA: C16H11N3O
MOLECULAR WEIGHT: 261.27804
SMILES: C1=CC=C(C=C1)C2=C(C2C(=O)N=[N+]=[N-])C3=CC=CC=C3
Structure:
CAS RN: 10300-25-1
CAS Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-methoxy-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-methoxy-tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-4-methoxy-3-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: COC1C(OC(C1O)N2C=NC3=C2NC=NC3=S)CO
Structure:
CAS RN: 7595-31-5
CAS Name: 4,5-dimethoxy-2-nitroaniline
OPENEYE Name: 4,5-dimethoxy-2-nitro-aniline
IUPAC Name: 4,5-dimethoxy-2-nitroaniline
SYSTEMATIC NAME: 4,5-dimethoxy-2-nitro-aniline
MOLECULAR FORMULA: C8H10N2O4
MOLECULAR WEIGHT: 198.176
SMILES: COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC
Structure:
CAS RN: 164295-94-7
CAS Name: 3-(2-naphthalenyl)-1H-pyrazole-5-carboxylate
OPENEYE Name: 3-(2-naphthyl)-1H-pyrazole-5-carboxylate
IUPAC Name: 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C14H9N2O2-
MOLECULAR WEIGHT: 237.23346
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)[O-]
Structure:
CAS RN: 98486-13-6
CAS Name: 5-(chloromethoxy)-1-pentene
OPENEYE Name: 5-(chloromethoxy)pent-1-ene
IUPAC Name: 5-(chloromethoxy)pent-1-ene
SYSTEMATIC NAME: 5-(chloromethyloxy)pent-1-ene
MOLECULAR FORMULA: C6H11ClO
MOLECULAR WEIGHT: 134.60394
SMILES: C=CCCCOCCl
Structure:
CAS RN: 6939-29-3
CAS Name: 5-methyl-2-(methylthio)-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 5-methyl-2-methylsulfanyl-4-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 5-methyl-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 5-methyl-2-methylsulfanyl-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C7H8N2O2S2
MOLECULAR WEIGHT: 216.28062
SMILES: CC1=C(NC(=NC1=S)SC)C(=O)O
Structure:
CAS RN: 4973-27-7
CAS Name: 2,6-ditert-butyl-4-(phenylmethyl)phenol
OPENEYE Name: 4-benzyl-2,6-ditert-butyl-phenol
IUPAC Name: 4-benzyl-2,6-ditert-butylphenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(phenylmethyl)phenol
MOLECULAR FORMULA: C21H28O
MOLECULAR WEIGHT: 296.44642
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC=CC=C2
Structure:
CAS RN: 93312-42-6
CAS Name: N-phenylcarbamodithioic acid 2-[[anilino(sulfanylidene)methyl]amino]ethyl ester
OPENEYE Name: 2-(phenylcarbamothioylamino)ethyl N-phenylcarbamodithioate
IUPAC Name: 2-(phenylcarbamothioylamino)ethyl N-phenylcarbamodithioate
SYSTEMATIC NAME: 2-(phenylcarbamothioylamino)ethyl N-phenylcarbamodithioate
MOLECULAR FORMULA: C16H17N3S3
MOLECULAR WEIGHT: 347.52128
SMILES: C1=CC=C(C=C1)NC(=S)NCCSC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 57989-42-1
CAS Name: [(2-chloro-1-methyl-3-indolyl)methylideneamino]thiourea
OPENEYE Name: [(2-chloro-1-methyl-indol-3-yl)methyleneamino]thiourea
IUPAC Name: [(2-chloro-1-methylindol-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2-chloranyl-1-methyl-indol-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C11H11ClN4S
MOLECULAR WEIGHT: 266.74984
SMILES: CN1C2=CC=CC=C2C(=C1Cl)C=NNC(=S)N
Structure:
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