CAS RN: 1236-21-1
CAS Name: 3-(12-benzo[a]anthracenyl)thiophene
OPENEYE Name: 3-benzo[a]anthracen-12-ylthiophene
IUPAC Name: 3-benzo[a]anthracen-12-ylthiophene
SYSTEMATIC NAME: 3-benzo[a]anthracen-12-ylthiophene
MOLECULAR FORMULA: C22H14S
MOLECULAR WEIGHT: 310.41156
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)C5=CSC=C5
Structure:
CAS RN: 86241-39-6
CAS Name: 5-(diethylaminomethylidene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-(diethylaminomethylene)-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-(diethylaminomethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-(diethylaminomethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C8H12N2OS2
MOLECULAR WEIGHT: 216.32368
SMILES: CCN(CC)C=C1C(=O)NC(=S)S1
Structure:
CAS RN: 6730-18-3
CAS Name: acetic acid (2,3,4,5-tetraacetyloxy-6-azidocyclohexyl) ester
OPENEYE Name: (2,3,4,5-tetraacetoxy-6-azido-cyclohexyl) acetate
IUPAC Name: (2,3,4,5-tetraacetyloxy-6-azidocyclohexyl) acetate
SYSTEMATIC NAME: (2,3,4,5-tetraacetyloxy-6-azido-cyclohexyl) ethanoate
MOLECULAR FORMULA: C16H21N3O10
MOLECULAR WEIGHT: 415.35204
SMILES: CC(=O)OC1C(C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-]
Structure:
CAS RN: 622-69-5
CAS Name: 1,3-bis(4-nitroanilino)urea
OPENEYE Name: 1,3-bis(4-nitroanilino)urea
IUPAC Name: 1,3-bis(4-nitroanilino)urea
SYSTEMATIC NAME: 1,3-bis[(4-nitrophenyl)amino]urea
MOLECULAR FORMULA: C13H12N6O5
MOLECULAR WEIGHT: 332.27158
SMILES: C1=CC(=CC=C1NNC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 35404-74-1
CAS Name: 2-[carbamothioyl(methyl)amino]acetic acid
OPENEYE Name: 2-[carbamothioyl(methyl)amino]acetic acid
IUPAC Name: 2-[carbamothioyl(methyl)amino]acetic acid
SYSTEMATIC NAME: 2-[carbamothioyl(methyl)amino]ethanoic acid
MOLECULAR FORMULA: C4H8N2O2S
MOLECULAR WEIGHT: 148.18352
SMILES: CN(CC(=O)O)C(=S)N
Structure:
CAS RN: 31181-05-2
CAS Name: [[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-isoquinolinyl]methylideneamino]thiourea
OPENEYE Name: [[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-isoquinolyl]methyleneamino]thiourea
IUPAC Name: [[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]isoquinolin-1-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C14H9F7N4S
MOLECULAR WEIGHT: 398.301882
SMILES: C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 31349-18-5
CAS Name: 6-(dimethoxymethyl)-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C14H15N3O6S
MOLECULAR WEIGHT: 353.3504
SMILES: COC(C1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)OC
Structure:
CAS RN: 5838-06-2
CAS Name: N2-(4-chlorophenyl)-N6-[2-(4-morpholinyl)ethyl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
OPENEYE Name: N2-(4-chlorophenyl)-N6-(2-morpholinoethyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 2-N-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2-(4-chlorophenyl)-N6-(2-morpholin-4-ylethyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C21H23ClN8O3
MOLECULAR WEIGHT: 470.91212
SMILES: C1COCCN1CCNC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 14814-48-3
CAS Name: N-heptyl-7H-purin-6-amine
OPENEYE Name: N-heptyl-7H-purin-6-amine
IUPAC Name: N-heptyl-7H-purin-6-amine
SYSTEMATIC NAME: N-heptyl-7H-purin-6-amine
MOLECULAR FORMULA: C12H19N5
MOLECULAR WEIGHT: 233.31276
SMILES: CCCCCCCNC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 71123-13-2
CAS Name: 4-butoxy-5-diazonio-2-oxo-3,4-dihydro-1H-pyrimidin-6-olate
OPENEYE Name: 4-butoxy-5-diazonio-2-oxo-3,4-dihydro-1H-pyrimidin-6-olate
IUPAC Name: 4-butoxy-5-diazonio-2-oxo-3,4-dihydro-1H-pyrimidin-6-olate
SYSTEMATIC NAME: 4-butoxy-5-diazonio-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-olate
MOLECULAR FORMULA: C8H12N4O3
MOLECULAR WEIGHT: 212.20588
SMILES: CCCCOC1C(=C(NC(=O)N1)[O-])[N+]#N
Structure:
CAS RN: 52583-84-3
CAS Name: [[4-(3-aminophenyl)-2-pyridinyl]methylideneamino]thiourea
OPENEYE Name: [[4-(3-aminophenyl)-2-pyridyl]methyleneamino]thiourea
IUPAC Name: [[4-(3-aminophenyl)pyridin-2-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[4-(3-aminophenyl)pyridin-2-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C13H13N5S
MOLECULAR WEIGHT: 271.34082
SMILES: C1=CC(=CC(=C1)N)C2=CC(=NC=C2)C=NNC(=S)N
Structure:
CAS RN: 3137-55-1
CAS Name: 6-hydrazinyl-5-nitro-1H-pyrimidin-4-one
OPENEYE Name: 6-hydrazino-5-nitro-1H-pyrimidin-4-one
IUPAC Name: 6-hydrazinyl-5-nitro-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-diazanyl-5-nitro-1H-pyrimidin-4-one
MOLECULAR FORMULA: C4H5N5O3
MOLECULAR WEIGHT: 171.1142
SMILES: C1=NC(=O)C(=C(N1)NN)[N+](=O)[O-]
Structure:
CAS RN: 58025-35-7
CAS Name: 1-[[2-chloro-3-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-phenyl-7-indolyl]methylideneamino]-3-methylthiourea
OPENEYE Name: 1-[[2-chloro-3-[(methylcarbamothioylhydrazono)methyl]-1-phenyl-indol-7-yl]methyleneamino]-3-methyl-thiourea
IUPAC Name: 1-[[2-chloro-3-[(methylcarbamothioylhydrazinylidene)methyl]-1-phenylindol-7-yl]methylideneamino]-3-methylthiourea
SYSTEMATIC NAME: 1-[[2-chloranyl-3-[(methylcarbamothioylhydrazinylidene)methyl]-1-phenyl-indol-7-yl]methylideneamino]-3-methyl-thiourea
MOLECULAR FORMULA: C20H20ClN7S2
MOLECULAR WEIGHT: 458.0027
SMILES: CNC(=S)NN=CC1=CC=CC2=C1N(C(=C2C=NNC(=S)NC)Cl)C3=CC=CC=C3
Structure:
CAS RN: 18667-53-3
CAS Name: 1-(2-methylpropyl)-3-[2-[[(2-methylpropylamino)-sulfanylidenemethyl]hydrazinylidene]ethylideneamino]thiourea
OPENEYE Name: 1-isobutyl-3-[2-(isobutylcarbamothioylhydrazono)ethylideneamino]thiourea
IUPAC Name: 1-(2-methylpropyl)-3-[2-(2-methylpropylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-(2-methylpropyl)-3-[2-(2-methylpropylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
MOLECULAR FORMULA: C12H24N6S2
MOLECULAR WEIGHT: 316.48916
SMILES: CC(C)CNC(=S)NN=CC=NNC(=S)NCC(C)C
Structure:
CAS RN: 6220-34-4
CAS Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
OPENEYE Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
IUPAC Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
SYSTEMATIC NAME: 1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
MOLECULAR FORMULA: C6H5N3S
MOLECULAR WEIGHT: 151.189
SMILES: C1=CNC2=C1NC=NC2=S
Structure:
CAS RN: 94599-83-4
CAS Name: 2-[cyclohexyl(dimethyl)ammonio]ethanesulfonate
OPENEYE Name: 2-[cyclohexyl(dimethyl)ammonio]ethanesulfonate
IUPAC Name: 2-[cyclohexyl(dimethyl)azaniumyl]ethanesulfonate
SYSTEMATIC NAME: 2-[cyclohexyl(dimethyl)azaniumyl]ethanesulfonate
MOLECULAR FORMULA: C10H21NO3S
MOLECULAR WEIGHT: 235.34364
SMILES: C[N+](C)(CCS(=O)(=O)[O-])C1CCCCC1
Structure:
CAS RN: 5391-29-7
CAS Name: N-[(2-bromoanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[(2-bromophenyl)carbamothioyl]benzamide
IUPAC Name: N-[(2-bromophenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(2-bromophenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C14H11BrN2OS
MOLECULAR WEIGHT: 335.21894
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2Br
Structure:
CAS RN: 61552-43-0
CAS Name: acetic acid [3-acetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-acetoxy-5-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3-acetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3-acetyloxy-5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H17N5O5S
MOLECULAR WEIGHT: 367.38028
SMILES: CC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)C
Structure:
CAS RN: 61552-44-1
CAS Name: acetic acid [3-acetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-acetoxy-5-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3-acetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3-acetyloxy-5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H17N5O5S
MOLECULAR WEIGHT: 367.38028
SMILES: CC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)C
Structure:
CAS RN: 74367-79-6
CAS Name: (2,4-dinitroanilino)urea
OPENEYE Name: (2,4-dinitroanilino)urea
IUPAC Name: (2,4-dinitroanilino)urea
SYSTEMATIC NAME: 1-[(2,4-dinitrophenyl)amino]urea
MOLECULAR FORMULA: C7H7N5O5
MOLECULAR WEIGHT: 241.16098
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NNC(=O)N
Structure:
CAS RN: 64542-91-2
CAS Name: 2-(phenylmethylthio)-7H-purin-6-amine
OPENEYE Name: 2-benzylsulfanyl-7H-purin-6-amine
IUPAC Name: 2-benzylsulfanyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-(phenylmethylsulfanyl)-7H-purin-6-amine
MOLECULAR FORMULA: C12H11N5S
MOLECULAR WEIGHT: 257.31424
SMILES: C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)NC=N3
Structure:
CAS RN: 29342-21-0
CAS Name: 2,5-diazido-3,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-diazido-3,6-ditert-butyl-1,4-benzoquinone
IUPAC Name: 2,5-diazido-3,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-diazido-3,6-ditert-butyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C14H18N6O2
MOLECULAR WEIGHT: 302.33172
SMILES: CC(C)(C)C1=C(C(=O)C(=C(C1=O)N=[N+]=[N-])C(C)(C)C)N=[N+]=[N-]
Structure:
CAS RN: 69975-34-4
CAS Name: benzoic acid [4-acetamido-2-(azidomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4-acetamido-2-(azidomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4-acetamido-2-(azidomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [4-acetamido-2-(azidomethyl)-6-methoxy-oxan-3-yl] benzoate
MOLECULAR FORMULA: C16H20N4O5
MOLECULAR WEIGHT: 348.3538
SMILES: CC(=O)NC1CC(OC(C1OC(=O)C2=CC=CC=C2)CN=[N+]=[N-])OC
Structure:
CAS RN: 52819-99-5
CAS Name: 2-diazonio-1-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]ethenolate
OPENEYE Name: 2-diazonio-1-[[2-(2-hydroxyethylamino)-2-oxo-ethyl]amino]ethenolate
IUPAC Name: 2-diazonio-1-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]ethenolate
SYSTEMATIC NAME: 2-diazonio-1-[[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]amino]ethenolate
MOLECULAR FORMULA: C6H10N4O3
MOLECULAR WEIGHT: 186.1686
SMILES: C(CO)NC(=O)CNC(=C[N+]#N)[O-]
Structure:
CAS RN: 49834-64-2
CAS Name: 1,2-dihydropyrazolo[3,4-b]pyridine-4-thione
OPENEYE Name: 1,2-dihydropyrazolo[3,4-b]pyridine-4-thione
IUPAC Name: 1,2-dihydropyrazolo[3,4-b]pyridine-4-thione
SYSTEMATIC NAME: 1,2-dihydropyrazolo[3,4-b]pyridine-4-thione
MOLECULAR FORMULA: C6H5N3S
MOLECULAR WEIGHT: 151.189
SMILES: C1=CN=C2C(=CNN2)C1=S
Structure:
CAS RN: 38942-78-8
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-phenylthiourea
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-phenyl-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-phenylthiourea
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-phenyl-thiourea
MOLECULAR FORMULA: C34H34N2O10S
MOLECULAR WEIGHT: 662.70616
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)NC6=CC=CC=C6)O
Structure:
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