CAS RN: 62677-60-5
CAS Name: 4-methoxy-1-naphthalenecarbothioamide
OPENEYE Name: 4-methoxynaphthalene-1-carbothioamide
IUPAC Name: 4-methoxynaphthalene-1-carbothioamide
SYSTEMATIC NAME: 4-methoxynaphthalene-1-carbothioamide
MOLECULAR FORMULA: C12H11NOS
MOLECULAR WEIGHT: 217.28684
SMILES: COC1=CC=C(C2=CC=CC=C21)C(=S)N
Structure:
CAS RN: 58285-66-8
CAS Name: 4-(2-chlorophenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2-chlorophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2-chlorophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2-chlorophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C22H16ClN5S
MOLECULAR WEIGHT: 417.91394
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC=CC=C4Cl
Structure:
CAS RN: 25795-67-9
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O3S2
MOLECULAR WEIGHT: 300.35728
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(S3)CO)O)O
Structure:
CAS RN: 70862-98-5
CAS Name: 1-(4-bromophenyl)-3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]thiourea
OPENEYE Name: 1-(4-bromophenyl)-3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]thiourea
IUPAC Name: 1-(4-bromophenyl)-3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]thiourea
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C16H16BrN7O3S
MOLECULAR WEIGHT: 466.31234
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NNC(=S)NC3=CC=C(C=C3)Br
Structure:
CAS RN: 26848-08-8
CAS Name: 9-[3,4,5-tris(phenylmethoxy)-2-oxanyl]-3H-purine-6-thione
OPENEYE Name: 9-(3,4,5-tribenzyloxytetrahydropyran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C31H30N4O4S
MOLECULAR WEIGHT: 554.6593
SMILES: C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 26848-09-9
CAS Name: 9-[3,4,5-tris(phenylmethoxy)-2-oxanyl]-3H-purine-6-thione
OPENEYE Name: 9-(3,4,5-tribenzyloxytetrahydropyran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C31H30N4O4S
MOLECULAR WEIGHT: 554.6593
SMILES: C1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 61720-70-5
CAS Name: 1-(benzenesulfonyl)-3-[1-naphthalenyl(sulfanylidene)methyl]urea
OPENEYE Name: 1-(benzenesulfonyl)-3-(naphthalene-1-carbothioyl)urea
IUPAC Name: 1-(benzenesulfonyl)-3-(naphthalene-1-carbothioyl)urea
SYSTEMATIC NAME: 1-naphthalen-1-ylcarbothioyl-3-(phenylsulfonyl)urea
MOLECULAR FORMULA: C18H14N2O3S2
MOLECULAR WEIGHT: 370.44536
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=S)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 75013-65-9
CAS Name: 1-propyl-3-[1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1-propyl-3-[1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-propyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-propyl-3-(1-pyridin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C11H16N4S
MOLECULAR WEIGHT: 236.33654
SMILES: CCCNC(=S)NN=C(C)C1=CC=CC=N1
Structure:
CAS RN: 18503-16-7
CAS Name: 2-phenyl-3,7-dihydropurin-6-one
OPENEYE Name: 2-phenyl-3,7-dihydropurin-6-one
IUPAC Name: 2-phenyl-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-phenyl-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C11H8N4O
MOLECULAR WEIGHT: 212.20742
SMILES: C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N=CN3
Structure:
CAS RN: 2027-54-5
CAS Name: 2-fluoro-N-phenylbenzenecarbothioamide
OPENEYE Name: 2-fluoro-N-phenyl-benzenecarbothioamide
IUPAC Name: 2-fluoro-N-phenylbenzenecarbothioamide
SYSTEMATIC NAME: 2-fluoranyl-N-phenyl-benzenecarbothioamide
MOLECULAR FORMULA: C13H10FNS
MOLECULAR WEIGHT: 231.288603
SMILES: C1=CC=C(C=C1)NC(=S)C2=CC=CC=C2F
Structure:
CAS RN: 42204-43-3
CAS Name: 5-(6-aminopurin-9-yl)-2-(azidomethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-2-(azidomethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-2-(azidomethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-2-(azidomethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O2
MOLECULAR WEIGHT: 276.25468
SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3N)CN=[N+]=[N-])O
Structure:
CAS RN: 2379-57-9
CAS Name: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
OPENEYE Name: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
IUPAC Name: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
SYSTEMATIC NAME: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
MOLECULAR FORMULA: C8H4N4O6
MOLECULAR WEIGHT: 252.14056
SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2
Structure:
CAS RN: 81742-04-3
CAS Name: N-[1-(2-pyridinyl)propylideneamino]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[1-(2-pyridyl)propylideneamino]carbamodithioate
IUPAC Name: methyl N-(1-pyridin-2-ylpropylideneamino)carbamodithioate
SYSTEMATIC NAME: methyl N-(1-pyridin-2-ylpropylideneamino)carbamodithioate
MOLECULAR FORMULA: C10H13N3S2
MOLECULAR WEIGHT: 239.36032
SMILES: CCC(=NNC(=S)SC)C1=CC=CC=N1
Structure:
CAS RN: 61281-33-2
CAS Name: 1-prop-2-enyl-3-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]thiourea
OPENEYE Name: 1-allyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea
IUPAC Name: 1-prop-2-enyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea
SYSTEMATIC NAME: 1-prop-2-enyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea
MOLECULAR FORMULA: C24H28N2O4S2
MOLECULAR WEIGHT: 472.62012
SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=S)NCC=C)OC)OC
Structure:
CAS RN: 42204-44-4
CAS Name: 2-amino-9-[5-(azidomethyl)-3,4-dihydroxy-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[5-(azidomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H12N8O4
MOLECULAR WEIGHT: 308.25348
SMILES: C1=NC2=C(N1C3C(C(C(O3)CN=[N+]=[N-])O)O)NC(=NC2=O)N
Structure:
CAS RN: 92808-19-0
CAS Name: 6-(1-pyrrolidinyl)-3-pyridinamine
OPENEYE Name: 6-pyrrolidin-1-ylpyridin-3-amine
IUPAC Name: 6-pyrrolidin-1-ylpyridin-3-amine
SYSTEMATIC NAME: 6-pyrrolidin-1-ylpyridin-3-amine
MOLECULAR FORMULA: C9H13N3
MOLECULAR WEIGHT: 163.21962
SMILES: C1CCN(C1)C2=NC=C(C=C2)N
Structure:
CAS RN: 32403-15-9
CAS Name: 1-(1-adamantyl)-3-[(2-chloro-6-fluorophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(2-chloro-6-fluoro-phenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(2-chloro-6-fluorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C18H21ClFN3S
MOLECULAR WEIGHT: 365.895843
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=CC=C4Cl)F
Structure:
CAS RN: 855-66-3
CAS Name: 3-(2-amino-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
OPENEYE Name: 3-(2-amino-6-phenyl-4-thioxo-1H-pyrimidin-5-yl)-N-phenyl-propanamide
IUPAC Name: 3-(2-amino-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
SYSTEMATIC NAME: 3-(2-azanyl-6-phenyl-4-sulfanylidene-1H-pyrimidin-5-yl)-N-phenyl-propanamide
MOLECULAR FORMULA: C19H18N4OS
MOLECULAR WEIGHT: 350.43742
SMILES: C1=CC=C(C=C1)C2=C(C(=S)N=C(N2)N)CCC(=O)NC3=CC=CC=C3
Structure:
CAS RN: 15923-59-8
CAS Name: acetic acid [4-acetyloxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester
OPENEYE Name: [4-acetoxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [4-acetyloxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2-[bis(2-methylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C28H29N4O9PS
MOLECULAR WEIGHT: 628.590021
SMILES: CC1=CC=CC=C1OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C)OC(=O)C)OC5=CC=CC=C5C
Structure:
CAS RN: 28495-90-1
CAS Name: 5-[(3-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-[(3-methoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-[(3-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-[(3-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: COC1=CC=CC(=C1)CC2=CNC(=S)NC2=O
Structure:
CAS RN: 24573-82-8
CAS Name: 2-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
OPENEYE Name: 2-[[4-(dimethylamino)phenyl]methylene]-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
IUPAC Name: 2-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
SYSTEMATIC NAME: 2-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
MOLECULAR FORMULA: C13H17N3O
MOLECULAR WEIGHT: 231.29358
SMILES: CC1CC(=N[N+]1=CC2=CC=C(C=C2)N(C)C)[O-]
Structure:
CAS RN: 24620-95-9
CAS Name: 5-methyl-3-oxo-N-phenyl-1-pyrazolidinecarbothioamide
OPENEYE Name: 5-methyl-3-oxo-N-phenyl-pyrazolidine-1-carbothioamide
IUPAC Name: 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide
SYSTEMATIC NAME: 5-methyl-3-oxidanylidene-N-phenyl-pyrazolidine-1-carbothioamide
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CC1CC(=O)NN1C(=S)NC2=CC=CC=C2
Structure:
CAS RN: 7355-82-0
CAS Name: 1-[(4-cyanophenyl)methylideneamino]-3-octadecylthiourea
OPENEYE Name: 1-[(4-cyanophenyl)methyleneamino]-3-octadecyl-thiourea
IUPAC Name: 1-[(4-cyanophenyl)methylideneamino]-3-octadecylthiourea
SYSTEMATIC NAME: 1-[(4-cyanophenyl)methylideneamino]-3-octadecyl-thiourea
MOLECULAR FORMULA: C27H44N4S
MOLECULAR WEIGHT: 456.73006
SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)C#N
Structure:
CAS RN: 63071-04-5
CAS Name: 2-methoxy-6-methyl-1-oxidopyridin-1-ium
OPENEYE Name: 2-methoxy-6-methyl-1-oxido-pyridin-1-ium
IUPAC Name: 2-methoxy-6-methyl-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 2-methoxy-6-methyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CC1=[N+](C(=CC=C1)OC)[O-]
Structure:
CAS RN: 3030-54-4
CAS Name: benzene-1,3-dicarbothioamide
OPENEYE Name: benzene-1,3-dicarbothioamide
IUPAC Name: benzene-1,3-dicarbothioamide
SYSTEMATIC NAME: benzene-1,3-dicarbothioamide
MOLECULAR FORMULA: C8H8N2S2
MOLECULAR WEIGHT: 196.29252
SMILES: C1=CC(=CC(=C1)C(=S)N)C(=S)N
Structure:
CAS RN: 5970-98-9
CAS Name: 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
OPENEYE Name: 5-(4-fluorophenyl)-4-(3-nitrophenyl)-3-(p-tolyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
IUPAC Name: 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SYSTEMATIC NAME: 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
MOLECULAR FORMULA: C24H17FN4O3
MOLECULAR WEIGHT: 428.415183
SMILES: CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)[N+](=O)[O-]
Structure:
CAS RN: 2002-44-0
CAS Name: N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide
IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C13H24N4O3
MOLECULAR WEIGHT: 284.35466
SMILES: CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
Structure:
CAS RN: 15571-17-2
CAS Name: 2-diazonio-1-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethenolate
OPENEYE Name: 2-diazonio-1-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethenolate
IUPAC Name: 2-diazonio-1-[[10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethenolate
SYSTEMATIC NAME: 2-diazonio-1-[[10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethenolate
MOLECULAR FORMULA: C25H32N2O7
MOLECULAR WEIGHT: 472.53078
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=C[N+]#N)[O-])C=O)O
Structure:
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