CAS RN: 73851-49-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14N6O4S2
MOLECULAR WEIGHT: 382.41806
SMILES: C1=NC2=C(C3=C(N2C4C(C(C(O4)CO)O)O)NC(=S)NC3=S)C(=N1)N
Structure:
CAS RN: 92460-83-8
CAS Name: 1-(4-chlorophenyl)-3-(6-phenanthridinylmethylideneamino)thiourea
OPENEYE Name: 1-(4-chlorophenyl)-3-(phenanthridin-6-ylmethyleneamino)thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-(phenanthridin-6-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(phenanthridin-6-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C21H15ClN4S
MOLECULAR WEIGHT: 390.8886
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2C=NNC(=S)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 59921-67-4
CAS Name: 3,5-dinitro-4-(7H-purin-6-ylthio)benzoic acid hexadecyl ester
OPENEYE Name: hexadecyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
IUPAC Name: hexadecyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
SYSTEMATIC NAME: hexadecyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
MOLECULAR FORMULA: C28H38N6O6S
MOLECULAR WEIGHT: 586.70292
SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Structure:
CAS RN: 4604-43-7
CAS Name: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
OPENEYE Name: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC Name: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C20H14ClN5O3
MOLECULAR WEIGHT: 407.80986
SMILES: CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl
Structure:
CAS RN: 71233-09-5
CAS Name: N-[(2-chloro-4-methylanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[(2-chloro-4-methyl-phenyl)carbamothioyl]benzamide
IUPAC Name: N-[(2-chloro-4-methylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H13ClN2OS
MOLECULAR WEIGHT: 304.79452
SMILES: CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2)Cl
Structure:
CAS RN: 73511-86-1
CAS Name: 3-[(5-chloro-7-iodo-8-quinolinyl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[(5-chloro-7-iodo-8-quinolyl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(5-chloro-7-iodoquinolin-8-yl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(5-chloranyl-7-iodanyl-quinolin-8-yl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C18H18ClIN4OS
MOLECULAR WEIGHT: 500.78419
SMILES: C1CCC(CC1)N2C(=NNC2=S)COC3=C(C=C(C4=C3N=CC=C4)Cl)I
Structure:
CAS RN: 5539-70-8
CAS Name: 2-[[(1,3-dioxo-2-phenyl-5-isoindolyl)-oxomethyl]amino]benzoic acid
OPENEYE Name: 2-[(1,3-dioxo-2-phenyl-isoindoline-5-carbonyl)amino]benzoic acid
IUPAC Name: 2-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]benzoic acid
SYSTEMATIC NAME: 2-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-5-yl]carbonylamino]benzoic acid
MOLECULAR FORMULA: C22H14N2O5
MOLECULAR WEIGHT: 386.35696
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O
Structure:
CAS RN: 6633-29-0
CAS Name: azido-(4-methyl-3,5-dinitrophenyl)methanone
OPENEYE Name: 4-methyl-3,5-dinitro-benzoyl azide
IUPAC Name: 4-methyl-3,5-dinitrobenzoyl azide
SYSTEMATIC NAME: azido-(4-methyl-3,5-dinitro-phenyl)methanone
MOLECULAR FORMULA: C8H5N5O5
MOLECULAR WEIGHT: 251.1558
SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N=[N+]=[N-])[N+](=O)[O-]
Structure:
CAS RN: 6622-87-3
CAS Name: 1-[(4-methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thiourea
OPENEYE Name: 1-isobutyl-3-[(4-methoxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-[(4-methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thiourea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methylideneamino]-3-(2-methylpropyl)thiourea
MOLECULAR FORMULA: C13H19N3OS
MOLECULAR WEIGHT: 265.37446
SMILES: CC(C)CNC(=S)NN=CC1=CC=C(C=C1)OC
Structure:
CAS RN: 20446-93-9
CAS Name: 1-[ethoxy-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]phosphoryl]-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea
OPENEYE Name: 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-[ethoxy-[(pyridin-4-ylcarbonylamino)carbamothioylamino]phosphoryl]-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C16H19N8O4PS2
MOLECULAR WEIGHT: 482.477021
SMILES: CCOP(=O)(NC(=S)NNC(=O)C1=CC=NC=C1)NC(=S)NNC(=O)C2=CC=NC=C2
Structure:
CAS RN: 87422-82-0
CAS Name: N-[[(4-nitrophenyl)-oxomethyl]amino]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[(4-nitrobenzoyl)amino]carbamodithioate
IUPAC Name: methyl N-[(4-nitrobenzoyl)amino]carbamodithioate
SYSTEMATIC NAME: methyl N-[(4-nitrophenyl)carbonylamino]carbamodithioate
MOLECULAR FORMULA: C9H9N3O3S2
MOLECULAR WEIGHT: 271.31606
SMILES: CSC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 518005-84-0
CAS Name: 1-[phenyl-(4-phenylphenyl)methyl]piperazine
OPENEYE Name: 1-[phenyl-(4-phenylphenyl)methyl]piperazine
IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[phenyl-(4-phenylphenyl)methyl]piperazine
MOLECULAR FORMULA: C23H24N2
MOLECULAR WEIGHT: 328.45006
SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4
Structure:
CAS RN: 42447-69-8
CAS Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride
OPENEYE Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxo-propyl]benzenesulfonyl fluoride
IUPAC Name: 4-[3-[3-(6-amino-7H-purin-8-yl)anilino]-3-oxopropyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[3-[[3-(6-azanyl-7H-purin-8-yl)phenyl]amino]-3-oxidanylidene-propyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C20H17FN6O3S
MOLECULAR WEIGHT: 440.450783
SMILES: C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)F)C3=NC4=C(N3)C(=NC=N4)N
Structure:
CAS RN: 37722-34-2
CAS Name: 2-bromo-5,5-dimethyl-3-oxo-1-cyclohexenolate
OPENEYE Name: 2-bromo-5,5-dimethyl-3-oxo-cyclohexen-1-olate
IUPAC Name: 2-bromo-5,5-dimethyl-3-oxocyclohexen-1-olate
SYSTEMATIC NAME: 2-bromanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate
MOLECULAR FORMULA: C8H10BrO2-
MOLECULAR WEIGHT: 218.0678
SMILES: CC1(CC(=C(C(=O)C1)Br)[O-])C
Structure:
CAS RN: 21313-86-0
CAS Name: 8-(4-nitrophenyl)-7H-purin-6-amine
OPENEYE Name: 8-(4-nitrophenyl)-7H-purin-6-amine
IUPAC Name: 8-(4-nitrophenyl)-7H-purin-6-amine
SYSTEMATIC NAME: 8-(4-nitrophenyl)-7H-purin-6-amine
MOLECULAR FORMULA: C11H8N6O2
MOLECULAR WEIGHT: 256.22022
SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)[N+](=O)[O-]
Structure:
CAS RN: 88609-04-5
CAS Name: 4-azido-N-(2-pyrimidinyl)benzenesulfonamide
OPENEYE Name: 4-azido-N-pyrimidin-2-yl-benzenesulfonamide
IUPAC Name: 4-azido-N-pyrimidin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: 4-azido-N-pyrimidin-2-yl-benzenesulfonamide
MOLECULAR FORMULA: C10H8N6O2S
MOLECULAR WEIGHT: 276.27452
SMILES: C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]
Structure:
CAS RN: 88609-03-4
CAS Name: N-(4-azidophenyl)sulfonylacetamide
OPENEYE Name: N-(4-azidophenyl)sulfonylacetamide
IUPAC Name: N-(4-azidophenyl)sulfonylacetamide
SYSTEMATIC NAME: N-(4-azidophenyl)sulfonylethanamide
MOLECULAR FORMULA: C8H8N4O3S
MOLECULAR WEIGHT: 240.23912
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=[N+]=[N-]
Structure:
CAS RN: 6297-52-5
CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-7H-purine-6-thione
OPENEYE Name: 1-[2-(p-tolylsulfanyl)ethyl]-7H-purine-6-thione
IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purine-6-thione
SYSTEMATIC NAME: 1-[2-(4-methylphenyl)sulfanylethyl]-7H-purine-6-thione
MOLECULAR FORMULA: C14H14N4S2
MOLECULAR WEIGHT: 302.41776
SMILES: CC1=CC=C(C=C1)SCCN2C=NC3=C(C2=S)NC=N3
Structure:
CAS RN: 57989-45-4
CAS Name: [(2-chloro-1-phenyl-3-indolyl)methylideneamino]thiourea
OPENEYE Name: [(2-chloro-1-phenyl-indol-3-yl)methyleneamino]thiourea
IUPAC Name: [(2-chloro-1-phenylindol-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2-chloranyl-1-phenyl-indol-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C16H13ClN4S
MOLECULAR WEIGHT: 328.81922
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C=NNC(=S)N
Structure:
CAS RN: 38942-76-6
CAS Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-4-oxanyl]-3-methylthiourea
OPENEYE Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3-methyl-thiourea
IUPAC Name: 1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-methylthiourea
SYSTEMATIC NAME: 1-[6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]-3-methyl-thiourea
MOLECULAR FORMULA: C29H32N2O10S
MOLECULAR WEIGHT: 600.63678
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=S)NC)O
Structure:
CAS RN: 31739-68-1
CAS Name: 1-methyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5-thione
OPENEYE Name: 1-methyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5-thione
IUPAC Name: 1-methyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5-thione
SYSTEMATIC NAME: 1-methyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5-thione
MOLECULAR FORMULA: C6H7N5S
MOLECULAR WEIGHT: 181.21828
SMILES: CN1C2=C(C(=S)N=CN2)N=CN1
Structure:
CAS RN: 17768-14-8
CAS Name: 5-pentyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
OPENEYE Name: 5-pentyl-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one
IUPAC Name: 5-pentyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-pentyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H13F3N2OS
MOLECULAR WEIGHT: 266.28323
SMILES: CCCCCC1=C(NC(=S)NC1=O)C(F)(F)F
Structure:
CAS RN: 29147-15-7
CAS Name: 4-(2,4-dimethylphenyl)azo-3-methyl-5-phenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,4-dimethylphenyl)azo-3-methyl-5-phenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-5-phenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C19H19N5S
MOLECULAR WEIGHT: 349.45266
SMILES: CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C)C(=S)N)C3=CC=CC=C3)C
Structure:
CAS RN: 92306-77-9
CAS Name: 4-carboxy-5-diazonio-2-oxo-3,4-dihydro-1H-pyrimidin-6-olate
OPENEYE Name: 4-carboxy-5-diazonio-2-oxo-3,4-dihydro-1H-pyrimidin-6-olate
IUPAC Name: 4-carboxy-5-diazonio-2-oxo-3,4-dihydro-1H-pyrimidin-6-olate
SYSTEMATIC NAME: 4-carboxy-5-diazonio-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-olate
MOLECULAR FORMULA: C5H4N4O4
MOLECULAR WEIGHT: 184.10966
SMILES: C1(C(=C(NC(=O)N1)[O-])[N+]#N)C(=O)O
Structure:
CAS RN: 5830-99-9
CAS Name: acetic acid (3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (3-azido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C21H33N3O2
MOLECULAR WEIGHT: 359.50562
SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCC(C4)N=[N+]=[N-])C)C
Structure:
CAS RN: 20333-53-3
CAS Name: 9-benzo[b]quinolizin-5-iumsulfonate
OPENEYE Name: benzo[b]quinolizin-5-ium-9-sulfonate
IUPAC Name: benzo[b]quinolizin-5-ium-9-sulfonate
SYSTEMATIC NAME: benzo[b]quinolizin-5-ium-9-sulfonate
MOLECULAR FORMULA: C13H9NO3S
MOLECULAR WEIGHT: 259.28046
SMILES: C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 37154-82-8
CAS Name: 9-[(phenylmethylene)amino]-3H-purine-6-thione
OPENEYE Name: 9-(benzylideneamino)-3H-purine-6-thione
IUPAC Name: 9-(benzylideneamino)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(phenylmethylidene)amino]-3H-purine-6-thione
MOLECULAR FORMULA: C12H9N5S
MOLECULAR WEIGHT: 255.29836
SMILES: C1=CC=C(C=C1)C=NN2C=NC3=C2NC=NC3=S
Structure:
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