CAS RN: 116570-12-8
CAS Name: 2-(1-tetrazolyl)benzoate
OPENEYE Name: 2-(tetrazol-1-yl)benzoate
IUPAC Name: 2-(tetrazol-1-yl)benzoate
SYSTEMATIC NAME: 2-(1,2,3,4-tetrazol-1-yl)benzoate
MOLECULAR FORMULA: C8H5N4O2-
MOLECULAR WEIGHT: 189.1509
SMILES: C1=CC=C(C(=C1)C(=O)[O-])N2C=NN=N2
Structure:
CAS RN: 6238-38-6
CAS Name: 4-(2-chloro-6-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 4-(2-chloro-6-fluoro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: oxolan-2-ylmethyl 4-(2-chloro-6-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: oxolan-2-ylmethyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C24H27ClFNO4
MOLECULAR WEIGHT: 447.926883
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC=C3Cl)F)C(=O)OCC4CCCO4
Structure:
CAS RN: 824-88-4
CAS Name: carbamothioic acid O-phenyl ester
OPENEYE Name: O-phenyl carbamothioate
IUPAC Name: O-phenyl carbamothioate
SYSTEMATIC NAME: O-phenyl carbamothioate
MOLECULAR FORMULA: C7H7NOS
MOLECULAR WEIGHT: 153.20158
SMILES: C1=CC=C(C=C1)OC(=S)N
Structure:
CAS RN: 16837-12-0
CAS Name: 6-amino-1-(4-bromophenyl)-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 6-amino-1-(4-bromophenyl)-2-thioxo-pyrimidin-4-one
IUPAC Name: 6-amino-1-(4-bromophenyl)-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-1-(4-bromophenyl)-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C10H8BrN3OS
MOLECULAR WEIGHT: 298.15902
SMILES: C1=CC(=CC=C1N2C(=CC(=O)NC2=S)N)Br
Structure:
CAS RN: 31053-00-6
CAS Name: N'-(5-nitro-2-pyridinyl)acetohydrazide
OPENEYE Name: N'-(5-nitro-2-pyridyl)acetohydrazide
IUPAC Name: N'-(5-nitropyridin-2-yl)acetohydrazide
SYSTEMATIC NAME: N'-(5-nitropyridin-2-yl)ethanehydrazide
MOLECULAR FORMULA: C7H8N4O3
MOLECULAR WEIGHT: 196.16342
SMILES: CC(=O)NNC1=NC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 7151-34-0
CAS Name: N-[2-(7H-purin-6-ylamino)ethyl]acetamide
OPENEYE Name: N-[2-(7H-purin-6-ylamino)ethyl]acetamide
IUPAC Name: N-[2-(7H-purin-6-ylamino)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(7H-purin-6-ylamino)ethyl]ethanamide
MOLECULAR FORMULA: C9H12N6O
MOLECULAR WEIGHT: 220.23118
SMILES: CC(=O)NCCNC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 61720-76-1
CAS Name: 1-(4-methylphenyl)sulfonyl-3-[1-naphthalenyl(sulfanylidene)methyl]urea
OPENEYE Name: 1-(naphthalene-1-carbothioyl)-3-(p-tolylsulfonyl)urea
IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-(naphthalene-1-carbothioyl)urea
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylcarbothioyl-urea
MOLECULAR FORMULA: C19H16N2O3S2
MOLECULAR WEIGHT: 384.47194
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=S)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 155471-08-2
CAS Name: (2-methyl-1-propyl-3-indolyl)-(1-naphthalenyl)methanone
OPENEYE Name: (2-methyl-1-propyl-indol-3-yl)-(1-naphthyl)methanone
IUPAC Name: (2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone
SYSTEMATIC NAME: (2-methyl-1-propyl-indol-3-yl)-naphthalen-1-yl-methanone
MOLECULAR FORMULA: C23H21NO
MOLECULAR WEIGHT: 327.41894
SMILES: CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
Structure:
CAS RN: 32403-32-0
CAS Name: 1-(1-adamantyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(2-methoxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C19H25N3OS
MOLECULAR WEIGHT: 343.4863
SMILES: COC1=CC=CC=C1C=NNC(=S)NC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 31349-84-5
CAS Name: 6-(dimethoxymethyl)-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-(3-phenylpropyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C16H20N2O3S
MOLECULAR WEIGHT: 320.4066
SMILES: COC(C1=C(C(=O)NC(=S)N1)CCCC2=CC=CC=C2)OC
Structure:
CAS RN: 62677-64-9
CAS Name: 4-butoxy-1-naphthalenecarbothioamide
OPENEYE Name: 4-butoxynaphthalene-1-carbothioamide
IUPAC Name: 4-butoxynaphthalene-1-carbothioamide
SYSTEMATIC NAME: 4-butoxynaphthalene-1-carbothioamide
MOLECULAR FORMULA: C15H17NOS
MOLECULAR WEIGHT: 259.36658
SMILES: CCCCOC1=CC=C(C2=CC=CC=C21)C(=S)N
Structure:
CAS RN: 38803-11-1
CAS Name: 1,3-bis[4-(butan-2-ylamino)phenyl]thiourea
OPENEYE Name: 1,3-bis[4-(sec-butylamino)phenyl]thiourea
IUPAC Name: 1,3-bis[4-(butan-2-ylamino)phenyl]thiourea
SYSTEMATIC NAME: 1,3-bis[4-(butan-2-ylamino)phenyl]thiourea
MOLECULAR FORMULA: C21H30N4S
MOLECULAR WEIGHT: 370.5547
SMILES: CCC(C)NC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(C)CC
Structure:
CAS RN: 33024-72-5
CAS Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-fluoroethyl)thiourea
OPENEYE Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-fluoroethyl)thiourea
IUPAC Name: 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-fluoroethyl)thiourea
SYSTEMATIC NAME: 1-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-(2-fluoranylethyl)thiourea
MOLECULAR FORMULA: C7H9FN4O2S
MOLECULAR WEIGHT: 232.235363
SMILES: C1=C(C(=O)NC(=O)N1)NC(=S)NCCF
Structure:
CAS RN: 4587-89-7
CAS Name: 3-[(2,5-dimethylphenyl)-nitromethylidene]-1-isobenzofuranone
OPENEYE Name: 3-[(2,5-dimethylphenyl)-nitro-methylene]isobenzofuran-1-one
IUPAC Name: 3-[(2,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[(2,5-dimethylphenyl)-nitro-methylidene]-2-benzofuran-1-one
MOLECULAR FORMULA: C17H13NO4
MOLECULAR WEIGHT: 295.28942
SMILES: CC1=CC(=C(C=C1)C)C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]
Structure:
CAS RN: 78797-13-4
CAS Name: 6-(phenyliminomethyl)-2-pyridinecarbothioamide
OPENEYE Name: 6-(phenyliminomethyl)pyridine-2-carbothioamide
IUPAC Name: 6-(phenyliminomethyl)pyridine-2-carbothioamide
SYSTEMATIC NAME: 6-(phenyliminomethyl)pyridine-2-carbothioamide
MOLECULAR FORMULA: C13H11N3S
MOLECULAR WEIGHT: 241.31154
SMILES: C1=CC=C(C=C1)N=CC2=NC(=CC=C2)C(=S)N
Structure:
CAS RN: 73221-74-6
CAS Name: 5-bromo-2-(3-methylphenoxy)pyrimidine
OPENEYE Name: 5-bromo-2-(3-methylphenoxy)pyrimidine
IUPAC Name: 5-bromo-2-(3-methylphenoxy)pyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-(3-methylphenoxy)pyrimidine
MOLECULAR FORMULA: C11H9BrN2O
MOLECULAR WEIGHT: 265.10596
SMILES: CC1=CC(=CC=C1)OC2=NC=C(C=N2)Br
Structure:
CAS RN: 653-98-5
CAS Name: 2-fluoro-N,N-dimethyl-7H-purin-6-amine
OPENEYE Name: 2-fluoro-N,N-dimethyl-7H-purin-6-amine
IUPAC Name: 2-fluoro-N,N-dimethyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-fluoranyl-N,N-dimethyl-7H-purin-6-amine
MOLECULAR FORMULA: C7H8FN5
MOLECULAR WEIGHT: 181.170323
SMILES: CN(C)C1=NC(=NC2=C1NC=N2)F
Structure:
CAS RN: 6313-15-1
CAS Name: phosphoric acid [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl diphenyl ester
OPENEYE Name: [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl diphenyl phosphate
IUPAC Name: [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate
SYSTEMATIC NAME: [3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate
MOLECULAR FORMULA: C22H21N4O7PS
MOLECULAR WEIGHT: 516.463501
SMILES: C1=CC=C(C=C1)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)O)O)OC5=CC=CC=C5
Structure:
CAS RN: 6014-08-0
CAS Name: 8H-pyrimido[4,5-d]pyrimidine-5-thione
OPENEYE Name: 8H-pyrimido[4,5-d]pyrimidine-5-thione
IUPAC Name: 8H-pyrimido[4,5-d]pyrimidine-5-thione
SYSTEMATIC NAME: 8H-pyrimido[4,5-d]pyrimidine-5-thione
MOLECULAR FORMULA: C6H4N4S
MOLECULAR WEIGHT: 164.18776
SMILES: C1=C2C(=NC=N1)NC=NC2=S
Structure:
CAS RN: 69039-88-9
CAS Name: 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2-thioxo-1,3-dihydroimidazole-4,5-dicarboxylate
IUPAC Name: diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
MOLECULAR FORMULA: C9H12N2O4S
MOLECULAR WEIGHT: 244.26758
SMILES: CCOC(=O)C1=C(NC(=S)N1)C(=O)OCC
Structure:
CAS RN: 4949-18-2
CAS Name: 4-hydroxy-3-imino-1H-quinoxalin-2-one
OPENEYE Name: 4-hydroxy-3-imino-1H-quinoxalin-2-one
IUPAC Name: 4-hydroxy-3-imino-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3-azanylidene-4-oxidanyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: C1=CC=C2C(=C1)NC(=O)C(=N)N2O
Structure:
CAS RN: 6943-22-2
CAS Name: 4-[[[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]-sulfanylidenemethyl]amino]benzoic acid
OPENEYE Name: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
IUPAC Name: 4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
SYSTEMATIC NAME: 4-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
MOLECULAR FORMULA: C12H11N5O3S
MOLECULAR WEIGHT: 305.31244
SMILES: C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CN=C(NC2=O)N
Structure:
CAS RN: 52560-89-1
CAS Name: 5-(2-sulfanylidene-3H-thiazol-4-yl)-2-thiophenecarboxamide
OPENEYE Name: 5-(2-thioxo-3H-thiazol-4-yl)thiophene-2-carboxamide
IUPAC Name: 5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide
SYSTEMATIC NAME: 5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide
MOLECULAR FORMULA: C8H6N2OS3
MOLECULAR WEIGHT: 242.34104
SMILES: C1=C(SC(=C1)C(=O)N)C2=CSC(=S)N2
Structure:
CAS RN: 37154-83-9
CAS Name: 9-(1-pyrrolyl)-3H-purine-6-thione
OPENEYE Name: 9-pyrrol-1-yl-3H-purine-6-thione
IUPAC Name: 9-pyrrol-1-yl-3H-purine-6-thione
SYSTEMATIC NAME: 9-pyrrol-1-yl-3H-purine-6-thione
MOLECULAR FORMULA: C9H7N5S
MOLECULAR WEIGHT: 217.25038
SMILES: C1=CN(C=C1)N2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 7598-36-9
CAS Name: 4-cyclohexyl-1-cyclohexanecarbothioamide
OPENEYE Name: 4-cyclohexylcyclohexanecarbothioamide
IUPAC Name: 4-cyclohexylcyclohexane-1-carbothioamide
SYSTEMATIC NAME: 4-cyclohexylcyclohexane-1-carbothioamide
MOLECULAR FORMULA: C13H23NS
MOLECULAR WEIGHT: 225.39342
SMILES: C1CCC(CC1)C2CCC(CC2)C(=S)N
Structure:
CAS RN: 3143-64-4
CAS Name: 1-diphenoxyphosphoryl-3-(5-methyl-2-pyridinyl)thiourea
OPENEYE Name: 1-diphenoxyphosphoryl-3-(5-methyl-2-pyridyl)thiourea
IUPAC Name: 1-diphenoxyphosphoryl-3-(5-methylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1-diphenoxyphosphoryl-3-(5-methylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C19H18N3O3PS
MOLECULAR WEIGHT: 399.403281
SMILES: CC1=CN=C(C=C1)NC(=S)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
Structure:
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