CAS RN: 55851-65-5
CAS Name: 1-methyl-3-[6-[[methylamino(sulfanylidene)methyl]hydrazinylidene]hexylideneamino]thiourea
OPENEYE Name: 1-methyl-3-[6-(methylcarbamothioylhydrazono)hexylideneamino]thiourea
IUPAC Name: 1-methyl-3-[6-(methylcarbamothioylhydrazinylidene)hexylideneamino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[6-(methylcarbamothioylhydrazinylidene)hexylideneamino]thiourea
MOLECULAR FORMULA: C10H20N6S2
MOLECULAR WEIGHT: 288.436
SMILES: CNC(=S)NN=CCCCCC=NNC(=S)NC
Structure:
CAS RN: 30072-30-1
CAS Name: azido-(4-ethylsulfonylphenyl)methanone
OPENEYE Name: 4-ethylsulfonylbenzoyl azide
IUPAC Name: 4-ethylsulfonylbenzoyl azide
SYSTEMATIC NAME: azido-(4-ethylsulfonylphenyl)methanone
MOLECULAR FORMULA: C9H9N3O3S
MOLECULAR WEIGHT: 239.25106
SMILES: CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=[N+]=[N-]
Structure:
CAS RN: 6493-01-2
CAS Name: 1,3-dimethyl-8-(2-phenylethylthio)-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 1,3-dimethyl-8-(2-phenylethylsulfanyl)-6-thioxo-7H-purin-2-one
IUPAC Name: 1,3-dimethyl-8-(2-phenylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 1,3-dimethyl-8-(2-phenylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C15H16N4OS2
MOLECULAR WEIGHT: 332.44374
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCC3=CC=CC=C3
Structure:
CAS RN: 6466-26-8
CAS Name: 8-(cyclohexylthio)-1,3-dimethyl-7H-purine-2,6-dithione
OPENEYE Name: 8-cyclohexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
IUPAC Name: 8-cyclohexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
SYSTEMATIC NAME: 8-cyclohexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
MOLECULAR FORMULA: C13H18N4S3
MOLECULAR WEIGHT: 326.50382
SMILES: CN1C2=C(C(=S)N(C1=S)C)NC(=N2)SC3CCCCC3
Structure:
CAS RN: 51026-11-0
CAS Name: 3-methyl-N,2-diphenyl-4-morpholinecarbothioamide
OPENEYE Name: 3-methyl-N,2-diphenyl-morpholine-4-carbothioamide
IUPAC Name: 3-methyl-N,2-diphenylmorpholine-4-carbothioamide
SYSTEMATIC NAME: 3-methyl-N,2-diphenyl-morpholine-4-carbothioamide
MOLECULAR FORMULA: C18H20N2OS
MOLECULAR WEIGHT: 312.4292
SMILES: CC1C(OCCN1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5145-34-6
CAS Name: 2-hydrazinyl-5-[(3-nitrophenyl)methyl]-4-thiazolone
OPENEYE Name: 2-hydrazino-5-[(3-nitrophenyl)methyl]thiazol-4-one
IUPAC Name: 2-hydrazinyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-diazanyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C10H10N4O3S
MOLECULAR WEIGHT: 266.2764
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CC2C(=O)N=C(S2)NN
Structure:
CAS RN: 66892-01-1
CAS Name: 2-methylprop-2-enylthiourea
OPENEYE Name: 2-methylallylthiourea
IUPAC Name: 2-methylprop-2-enylthiourea
SYSTEMATIC NAME: 1-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C5H10N2S
MOLECULAR WEIGHT: 130.2113
SMILES: CC(=C)CNC(=S)N
Structure:
CAS RN: 55470-38-7
CAS Name: 5-[4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinyl]-1,2-dihydro-1,2,4-triazole-3-thione
OPENEYE Name: 5-[4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
IUPAC Name: 5-[4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-[4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C13H15N7O4S
MOLECULAR WEIGHT: 365.3677
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C4=NC(=S)NN4
Structure:
CAS RN: 60515-91-5
CAS Name: 1-(2-methylpropyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]thiourea
OPENEYE Name: 1-isobutyl-3-[4-(4-nitrophenyl)sulfonylphenyl]thiourea
IUPAC Name: 1-(2-methylpropyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]thiourea
SYSTEMATIC NAME: 1-(2-methylpropyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]thiourea
MOLECULAR FORMULA: C17H19N3O4S2
MOLECULAR WEIGHT: 393.48046
SMILES: CC(C)CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 40763-13-1
CAS Name: [(3,5,6-trimethyl-2-benzofuranyl)methylideneamino]thiourea
OPENEYE Name: [(3,5,6-trimethylbenzofuran-2-yl)methyleneamino]thiourea
IUPAC Name: [(3,5,6-trimethyl-1-benzofuran-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(3,5,6-trimethyl-1-benzofuran-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CC1=C(C=C2C(=C1)C(=C(O2)C=NNC(=S)N)C)C
Structure:
CAS RN: 83471-50-5
CAS Name: 2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid
OPENEYE Name: 2-[[2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[2-[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C38H57N9O9
MOLECULAR WEIGHT: 783.91408
SMILES: CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCN=C(N)N)N
Structure:
CAS RN: 5856-50-8
CAS Name: carbamic acid [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [2,2-dimethyl-4-(6-thioxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
IUPAC Name: [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
SYSTEMATIC NAME: [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
MOLECULAR FORMULA: C14H17N5O5S
MOLECULAR WEIGHT: 367.38028
SMILES: CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=S)COC(=O)N)C
Structure:
CAS RN: 6919-35-3
CAS Name: 1-hydroxy-3-phenylthiourea
OPENEYE Name: 1-hydroxy-3-phenyl-thiourea
IUPAC Name: 1-hydroxy-3-phenylthiourea
SYSTEMATIC NAME: 1-oxidanyl-3-phenyl-thiourea
MOLECULAR FORMULA: C7H8N2OS
MOLECULAR WEIGHT: 168.21622
SMILES: C1=CC=C(C=C1)NC(=S)NO
Structure:
CAS RN: 15442-49-6
CAS Name: 2-aminobenzoic acid; copper
OPENEYE Name: 2-aminobenzoic acid; copper
IUPAC Name: 2-aminobenzoic acid; copper
SYSTEMATIC NAME: 2-azanylbenzoic acid; copper
MOLECULAR FORMULA: C14H14CuN2O4
MOLECULAR WEIGHT: 337.81796
SMILES: C1=CC=C(C(=C1)C(=O)O)N.C1=CC=C(C(=C1)C(=O)O)N.[Cu]
Structure:
CAS RN: 31739-65-8
CAS Name: 2,5-diamino-4-(phenylmethylthio)-1H-pyrimidine-6-thione
OPENEYE Name: 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione
IUPAC Name: 2,5-diamino-4-benzylsulfanyl-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 2,5-bis(azanyl)-4-(phenylmethylsulfanyl)-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C11H12N4S2
MOLECULAR WEIGHT: 264.36978
SMILES: C1=CC=C(C=C1)CSC2=C(C(=S)NC(=N2)N)N
Structure:
CAS RN: 55316-35-3
CAS Name: 2-azido-N-(2-pyrazinylmethyl)acetamide
OPENEYE Name: 2-azido-N-(pyrazin-2-ylmethyl)acetamide
IUPAC Name: 2-azido-N-(pyrazin-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-azido-N-(pyrazin-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C7H8N6O
MOLECULAR WEIGHT: 192.17802
SMILES: C1=CN=C(C=N1)CNC(=O)CN=[N+]=[N-]
Structure:
CAS RN: 175463-34-0
CAS Name: 3-hydroxy-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-[(tert-butoxycarbonylamino)methyl]-4-hydroxy-pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxidanyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C15H28N2O5
MOLECULAR WEIGHT: 316.39322
SMILES: CC(C)(C)OC(=O)NCC1CN(CC1O)C(=O)OC(C)(C)C
Structure:
CAS RN: 6162-67-0
CAS Name: N-(2-benzoyl-4-nitrophenyl)-4-(diethylsulfamoyl)benzamide
OPENEYE Name: N-(2-benzoyl-4-nitro-phenyl)-4-(diethylsulfamoyl)benzamide
IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-4-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: 4-(diethylsulfamoyl)-N-[4-nitro-2-(phenylcarbonyl)phenyl]benzamide
MOLECULAR FORMULA: C24H23N3O6S
MOLECULAR WEIGHT: 481.52092
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3
Structure:
CAS RN: 59748-51-5
CAS Name: N-[4-[(3-nitro-9-acridinyl)amino]phenyl]methanesulfonamide
OPENEYE Name: N-[4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
IUPAC Name: N-[4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[(3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-]
Structure:
CAS RN: 31020-23-2
CAS Name: 1-ethoxy-N-(4-phenyl-1-pyridin-1-iumyl)methanimidate
OPENEYE Name: 1-ethoxy-N-(4-phenylpyridin-1-ium-1-yl)methanimidate
IUPAC Name: 1-ethoxy-N-(4-phenylpyridin-1-ium-1-yl)methanimidate
SYSTEMATIC NAME: 1-ethoxy-N-(4-phenylpyridin-1-ium-1-yl)methanimidate
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CCOC(=N[N+]1=CC=C(C=C1)C2=CC=CC=C2)[O-]
Structure:
CAS RN: 50440-30-7
CAS Name: 4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
OPENEYE Name: 4-[(6-nitro-4-quinolyl)amino]-N-[4-(4-pyridylamino)phenyl]benzamide
IUPAC Name: 4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
SYSTEMATIC NAME: 4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
MOLECULAR FORMULA: C27H20N6O3
MOLECULAR WEIGHT: 476.4861
SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-]
Structure:
CAS RN: 10262-82-5
CAS Name: 2-amino-1-nitroanthracene-9,10-dione
OPENEYE Name: 2-amino-1-nitro-anthracene-9,10-dione
IUPAC Name: 2-amino-1-nitroanthracene-9,10-dione
SYSTEMATIC NAME: 2-azanyl-1-nitro-anthracene-9,10-dione
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N)[N+](=O)[O-]
Structure:
CAS RN: 58327-76-7
CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylate
OPENEYE Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate
IUPAC Name: 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SYSTEMATIC NAME: 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate
MOLECULAR FORMULA: C10H9N2O2S-
MOLECULAR WEIGHT: 221.25566
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)[O-])N)C
Structure:
CAS RN: 13450-77-6
CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(4-chlorobenzoyl)amino]acetate
IUPAC Name: 2-[(4-chlorobenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(4-chlorophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C9H7ClNO3-
MOLECULAR WEIGHT: 212.60978
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)[O-])Cl
Structure:
CAS RN: 4829-89-4
CAS Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]acetamide
OPENEYE Name: 2-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]acetamide
IUPAC Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]acetamide
SYSTEMATIC NAME: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C7H7N5OS2
MOLECULAR WEIGHT: 241.29338
SMILES: C1=NC2=C(NNC(=S)C2=N1)SCC(=O)N
Structure:
CAS RN: 4099-25-6
CAS Name: 7-[(2-fluorophenyl)methylthio]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
OPENEYE Name: 7-[(2-fluorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
IUPAC Name: 7-[(2-fluorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
SYSTEMATIC NAME: 7-[(2-fluorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
MOLECULAR FORMULA: C12H9FN4S2
MOLECULAR WEIGHT: 292.355063
SMILES: C1=CC=C(C(=C1)CSC2=C3C(=NC=N3)C(=S)NN2)F
Structure:
CAS RN: 91330-51-7
CAS Name: 2-[4-nitro-2-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenoxy]acetic acid
OPENEYE Name: 2-[4-nitro-2-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
IUPAC Name: 2-[4-nitro-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-nitro-2-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C12H8N2O6S2
MOLECULAR WEIGHT: 340.33172
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=C2C(=O)NC(=S)S2)OCC(=O)O
Structure:
CAS RN: 3380-95-8
CAS Name: 2-azido-2-phenylacetic acid
OPENEYE Name: 2-azido-2-phenyl-acetic acid
IUPAC Name: 2-azido-2-phenylacetic acid
SYSTEMATIC NAME: 2-azido-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: C1=CC=C(C=C1)C(C(=O)O)N=[N+]=[N-]
Structure:
CAS RN: 103956-09-8
CAS Name: 3,4-diaminobenzohydrazide
OPENEYE Name: 3,4-diaminobenzohydrazide
IUPAC Name: 3,4-diaminobenzohydrazide
SYSTEMATIC NAME: 3,4-bis(azanyl)benzohydrazide
MOLECULAR FORMULA: C7H10N4O
MOLECULAR WEIGHT: 166.1805
SMILES: C1=CC(=C(C=C1C(=O)NN)N)N
Structure:
CAS RN: 565180-19-0
CAS Name: 2-chloro-N-cyclopentylpropanamide
OPENEYE Name: 2-chloro-N-cyclopentyl-propanamide
IUPAC Name: 2-chloro-N-cyclopentylpropanamide
SYSTEMATIC NAME: 2-chloranyl-N-cyclopentyl-propanamide
MOLECULAR FORMULA: C8H14ClNO
MOLECULAR WEIGHT: 175.65586
SMILES: CC(C(=O)NC1CCCC1)Cl
Structure:
CAS RN: 400-23-7
CAS Name: 2-nitro-4-(trifluoromethylsulfonyl)aniline
OPENEYE Name: 2-nitro-4-(trifluoromethylsulfonyl)aniline
IUPAC Name: 2-nitro-4-(trifluoromethylsulfonyl)aniline
SYSTEMATIC NAME: 2-nitro-4-(trifluoromethylsulfonyl)aniline
MOLECULAR FORMULA: C7H5F3N2O4S
MOLECULAR WEIGHT: 270.18581
SMILES: C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N
Structure:
CAS RN: 99377-82-9
CAS Name: 3-(2-methyl-3-benzo[f][1,3]benzothiazol-3-iumyl)-1-propanesulfonate
OPENEYE Name: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate
IUPAC Name: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate
SYSTEMATIC NAME: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate
MOLECULAR FORMULA: C15H15NO3S2
MOLECULAR WEIGHT: 321.4145
SMILES: CC1=[N+](C2=CC3=CC=CC=C3C=C2S1)CCCS(=O)(=O)[O-]
Structure:
CAS RN: 54744-88-6
CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-6-sulfanylidene-7H-purin-8-one
OPENEYE Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-6-thioxo-7H-purin-8-one
IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one
SYSTEMATIC NAME: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-6-sulfanylidene-7H-purin-8-one
MOLECULAR FORMULA: C11H15N5O5S
MOLECULAR WEIGHT: 329.3323
SMILES: CN1C(=S)C2=C(N=C1N)N(C(=O)N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 16026-91-8
CAS Name: 1-hydroxy-2-imino-3-quinolinecarbonitrile
OPENEYE Name: 1-hydroxy-2-imino-quinoline-3-carbonitrile
IUPAC Name: 1-hydroxy-2-iminoquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanylidene-1-oxidanyl-quinoline-3-carbonitrile
MOLECULAR FORMULA: C10H7N3O
MOLECULAR WEIGHT: 185.18208
SMILES: C1=CC=C2C(=C1)C=C(C(=N)N2O)C#N
Structure:
CAS RN: 39480-94-9
CAS Name: 2-diazonio-1-(4,5-dihydro-3H-pyrazol-3-yl)ethenolate
OPENEYE Name: 2-diazonio-1-(4,5-dihydro-3H-pyrazol-3-yl)ethenolate
IUPAC Name: 2-diazonio-1-(4,5-dihydro-3H-pyrazol-3-yl)ethenolate
SYSTEMATIC NAME: 2-diazonio-1-(4,5-dihydro-3H-pyrazol-3-yl)ethenolate
MOLECULAR FORMULA: C5H6N4O
MOLECULAR WEIGHT: 138.12734
SMILES: C1CN=NC1C(=C[N+]#N)[O-]
Structure:
CAS RN: 21170-24-1
CAS Name: 11,17-dihydroxy-10,13-dimethyl-17-[1-oxo-2-(7H-purin-6-ylthio)ethyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: 11,17-dihydroxy-10,13-dimethyl-17-[2-(7H-purin-6-ylsulfanyl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: 11,17-dihydroxy-10,13-dimethyl-17-[2-(7H-purin-6-ylsulfanyl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-11,17-bis(oxidanyl)-17-[2-(7H-purin-6-ylsulfanyl)ethanoyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C26H32N4O4S
MOLECULAR WEIGHT: 496.62168
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC5=NC=NC6=C5NC=N6)O)C)O
Structure:
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