CAS RN: 6492-89-3
CAS Name: 1,3-dimethyl-6-sulfanylidene-8-(thiophen-2-ylthio)-7H-purin-2-one
OPENEYE Name: 1,3-dimethyl-8-(2-thienylsulfanyl)-6-thioxo-7H-purin-2-one
IUPAC Name: 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one
SYSTEMATIC NAME: 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one
MOLECULAR FORMULA: C11H10N4OS3
MOLECULAR WEIGHT: 310.4183
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SC3=CC=CS3
Structure:
CAS RN: 53995-28-1
CAS Name: N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)acetamide
OPENEYE Name: N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)acetamide
IUPAC Name: N-(7-chloro-1H-imidazo[4,5-b]pyridin-5-yl)acetamide
SYSTEMATIC NAME: N-(7-chloranyl-1H-imidazo[4,5-b]pyridin-5-yl)ethanamide
MOLECULAR FORMULA: C8H7ClN4O
MOLECULAR WEIGHT: 210.62038
SMILES: CC(=O)NC1=NC2=C(C(=C1)Cl)NC=N2
Structure:
CAS RN: 6939-73-7
CAS Name: 1-(4-phenyldiazenylanilino)-3-(4-phenyldiazenylphenyl)iminothiourea
OPENEYE Name: 1-(4-phenylazoanilino)-3-(4-phenylazophenyl)imino-thiourea
IUPAC Name: 1-(4-phenyldiazenylanilino)-3-(4-phenyldiazenylphenyl)iminothiourea
SYSTEMATIC NAME: 1-[(4-phenyldiazenylphenyl)amino]-3-(4-phenyldiazenylphenyl)imino-thiourea
MOLECULAR FORMULA: C25H20N8S
MOLECULAR WEIGHT: 464.5449
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NNC(=S)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4
Structure:
CAS RN: 40520-04-5
CAS Name: 2-[[(methylthio)-sulfanylidenemethyl]amino]acetic acid
OPENEYE Name: 2-(methylsulfanylcarbothioylamino)acetic acid
IUPAC Name: 2-(methylsulfanylcarbothioylamino)acetic acid
SYSTEMATIC NAME: 2-(methylsulfanylcarbothioylamino)ethanoic acid
MOLECULAR FORMULA: C4H7NO2S2
MOLECULAR WEIGHT: 165.23388
SMILES: CSC(=S)NCC(=O)O
Structure:
CAS RN: 22724-27-2
CAS Name: [(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]thiourea
OPENEYE Name: [(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methyleneamino]thiourea
IUPAC Name: [(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[5-bromanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C6H6BrN5O2S
MOLECULAR WEIGHT: 292.11314
SMILES: C(=NNC(=S)N)C1=C(C(=O)NC(=O)N1)Br
Structure:
CAS RN: 82843-18-3
CAS Name: 3-ethyl-2-hydroxy-1,7,7-trimethyl-5-sulfanylidene-6,8-dihydro-1,6-naphthyridin-4-one
OPENEYE Name: 3-ethyl-2-hydroxy-1,7,7-trimethyl-5-thioxo-6,8-dihydro-1,6-naphthyridin-4-one
IUPAC Name: 3-ethyl-2-hydroxy-1,7,7-trimethyl-5-sulfanylidene-6,8-dihydro-1,6-naphthyridin-4-one
SYSTEMATIC NAME: 3-ethyl-1,7,7-trimethyl-2-oxidanyl-5-sulfanylidene-6,8-dihydro-1,6-naphthyridin-4-one
MOLECULAR FORMULA: C13H18N2O2S
MOLECULAR WEIGHT: 266.35922
SMILES: CCC1=C(N(C2=C(C1=O)C(=S)NC(C2)(C)C)C)O
Structure:
CAS RN: 42084-03-7
CAS Name: 1,3-bis(4-acetylphenyl)thiourea
OPENEYE Name: 1,3-bis(4-acetylphenyl)thiourea
IUPAC Name: 1,3-bis(4-acetylphenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(4-ethanoylphenyl)thiourea
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)C
Structure:
CAS RN: 79925-03-4
CAS Name: 1-amino-3-(3-nitrophenyl)thiourea
OPENEYE Name: 1-amino-3-(3-nitrophenyl)thiourea
IUPAC Name: 1-amino-3-(3-nitrophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(3-nitrophenyl)thiourea
MOLECULAR FORMULA: C7H8N4O2S
MOLECULAR WEIGHT: 212.22902
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NN
Structure:
CAS RN: 72766-40-6
CAS Name: 1-[2-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]ethyl]-2-imidazolidinone
OPENEYE Name: 1-[2-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]ethyl]imidazolidin-2-one
IUPAC Name: 1-[2-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]ethyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[2-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]ethyl]imidazolidin-2-one
MOLECULAR FORMULA: C12H13N7O5
MOLECULAR WEIGHT: 335.27552
SMILES: C1CN(C(=O)N1)CCNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]
Structure:
CAS RN: 1508-67-4
CAS Name: pentanedihydrazide
OPENEYE Name: pentanedihydrazide
IUPAC Name: pentanedihydrazide
SYSTEMATIC NAME: pentanedihydrazide
MOLECULAR FORMULA: C5H12N4O2
MOLECULAR WEIGHT: 160.17438
SMILES: C(CC(=O)NN)CC(=O)NN
Structure:
CAS RN: 74347-02-7
CAS Name: 1,3-bis[4-(diethylamino)phenyl]thiourea
OPENEYE Name: 1,3-bis[4-(diethylamino)phenyl]thiourea
IUPAC Name: 1,3-bis[4-(diethylamino)phenyl]thiourea
SYSTEMATIC NAME: 1,3-bis[4-(diethylamino)phenyl]thiourea
MOLECULAR FORMULA: C21H30N4S
MOLECULAR WEIGHT: 370.5547
SMILES: CCN(CC)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N(CC)CC
Structure:
CAS RN: 58913-39-6
CAS Name: 4-(butylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
OPENEYE Name: 4-(butylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
IUPAC Name: 4-(butylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
SYSTEMATIC NAME: 4-(butylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
MOLECULAR FORMULA: C11H20N2S
MOLECULAR WEIGHT: 212.3549
SMILES: CCCCNC1=CC(=S)NC(C1)(C)C
Structure:
CAS RN: 14937-67-8
CAS Name: 2-amino-8-(2-phenylethyl)-3,7-dihydropurin-6-one
OPENEYE Name: 2-amino-8-(2-phenylethyl)-3,7-dihydropurin-6-one
IUPAC Name: 2-amino-8-(2-phenylethyl)-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-azanyl-8-(2-phenylethyl)-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C13H13N5O
MOLECULAR WEIGHT: 255.27522
SMILES: C1=CC=C(C=C1)CCC2=NC3=C(N2)C(=O)N=C(N3)N
Structure:
CAS RN: 6492-92-8
CAS Name: 8-(hexan-2-ylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 1,3-dimethyl-8-(1-methylpentylsulfanyl)-6-thioxo-7H-purin-2-one
IUPAC Name: 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 8-hexan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C13H20N4OS2
MOLECULAR WEIGHT: 312.4541
SMILES: CCCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C
Structure:
CAS RN: 17309-13-6
CAS Name: 4-methyl-2-sulfanylidene-3H-thiazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methyl-2-thioxo-3H-thiazole-5-carboxylate
IUPAC Name: ethyl 4-methyl-2-sulfanylidene-3H-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-sulfanylidene-3H-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C7H9NO2S2
MOLECULAR WEIGHT: 203.28186
SMILES: CCOC(=O)C1=C(NC(=S)S1)C
Structure:
CAS RN: 57989-64-7
CAS Name: [[2-chloro-1-(1-oxopentyl)-3-indolyl]methylideneamino]thiourea
OPENEYE Name: [(2-chloro-1-pentanoyl-indol-3-yl)methyleneamino]thiourea
IUPAC Name: [(2-chloro-1-pentanoylindol-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2-chloranyl-1-pentanoyl-indol-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C15H17ClN4OS
MOLECULAR WEIGHT: 336.83968
SMILES: CCCCC(=O)N1C2=CC=CC=C2C(=C1Cl)C=NNC(=S)N
Structure:
CAS RN: 7467-92-7
CAS Name: 4-hydroxy-1-oxido-6-quinoxalin-1-iumone
OPENEYE Name: 4-hydroxy-1-oxido-quinoxalin-1-ium-6-one
IUPAC Name: 4-hydroxy-1-oxidoquinoxalin-1-ium-6-one
SYSTEMATIC NAME: 1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-one
MOLECULAR FORMULA: C8H6N2O3
MOLECULAR WEIGHT: 178.14484
SMILES: C1=CC2=[N+](C=CN(C2=CC1=O)O)[O-]
Structure:
CAS RN: 93670-97-4
CAS Name: 2-amino-N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzenesulfonamide
OPENEYE Name: 2-amino-N-(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)benzenesulfonamide
IUPAC Name: 2-amino-N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzenesulfonamide
SYSTEMATIC NAME: 2-azanyl-N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)benzenesulfonamide
MOLECULAR FORMULA: C10H11N5O3S2
MOLECULAR WEIGHT: 313.35604
SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)NC2=C(NC(=S)NC2=O)N
Structure:
CAS RN: 6466-02-0
CAS Name: 8-(cyclopentylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-cyclopentylsulfanyl-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 8-cyclopentylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 8-cyclopentylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C12H16N4OS2
MOLECULAR WEIGHT: 296.41164
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SC3CCCC3
Structure:
CAS RN: 17607-18-0
CAS Name: 1,10-diazidodecane
OPENEYE Name: 1,10-diazidodecane
IUPAC Name: 1,10-diazidodecane
SYSTEMATIC NAME: 1,10-diazidodecane
MOLECULAR FORMULA: C10H20N6
MOLECULAR WEIGHT: 224.306
SMILES: C(CCCCCN=[N+]=[N-])CCCCN=[N+]=[N-]
Structure:
CAS RN: 41657-69-6
CAS Name: 1-(4-azidophenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: 1-(4-azidophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: 1-(4-azidophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-azidophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H13N3O2
MOLECULAR WEIGHT: 279.29332
SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
Structure:
CAS RN: 818-01-9
CAS Name: 2-diazonio-1-[[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]amino]ethenolate
OPENEYE Name: 2-diazonio-1-[[2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]ethenolate
IUPAC Name: 2-diazonio-1-[[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]amino]ethenolate
SYSTEMATIC NAME: 2-diazonio-1-[[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]ethenolate
MOLECULAR FORMULA: C8H12N4O4
MOLECULAR WEIGHT: 228.20528
SMILES: CCOC(=O)CNC(=O)CNC(=C[N+]#N)[O-]
Structure:
CAS RN: 3313-48-2
CAS Name: 2-amino-N-[2-(2-naphthalenylamino)-2-oxoethyl]acetamide
OPENEYE Name: 2-amino-N-[2-(2-naphthylamino)-2-oxo-ethyl]acetamide
IUPAC Name: 2-amino-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]acetamide
SYSTEMATIC NAME: 2-azanyl-N-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]ethanamide
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CNC(=O)CN
Structure:
CAS RN: 2777-88-0
CAS Name: 2-amino-9-[5-[(ethylthio)methyl]-3,4-dihydroxy-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[5-(ethylsulfanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C12H17N5O3S2
MOLECULAR WEIGHT: 343.42508
SMILES: CCSCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)O)O
Structure:
CAS RN: 6297-69-4
CAS Name: 1-cyclohexyl-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 1-cyclohexyl-5-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 1-cyclohexyl-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 1-cyclohexyl-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C11H18N2OS
MOLECULAR WEIGHT: 226.33842
SMILES: CC1CN(C(=S)NC1=O)C2CCCCC2
Structure:
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