CAS RN: 3438-82-2
CAS Name: 7-(2-hydroxyethylthio)-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
OPENEYE Name: 7-(2-hydroxyethylsulfanyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
IUPAC Name: 7-(2-hydroxyethylsulfanyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
SYSTEMATIC NAME: 7-(2-hydroxyethylsulfanyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
MOLECULAR FORMULA: C7H8N4OS2
MOLECULAR WEIGHT: 228.29462
SMILES: C1=NC2=C(NNC(=S)C2=N1)SCCO
Structure:
CAS RN: 30695-38-6
CAS Name: 3-(4-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 3-(4-methoxyphenyl)-5-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 3-(4-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: CC1CNC(=S)N(C1=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 28951-82-8
CAS Name: 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate
IUPAC Name: ethyl 4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoate
SYSTEMATIC NAME: ethyl 4-[[2,6-bis(azanyl)-7H-purin-8-yl]methylamino]benzoate
MOLECULAR FORMULA: C15H17N7O2
MOLECULAR WEIGHT: 327.34118
SMILES: CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N2)C(=NC(=N3)N)N
Structure:
CAS RN: 15208-64-7
CAS Name: 2-diazonio-1-[(2-ethoxy-2-oxoethyl)amino]-4-(2-methoxyphenoxy)-3-oxo-1-buten-1-olate
OPENEYE Name: 2-diazonio-1-[(2-ethoxy-2-oxo-ethyl)amino]-4-(2-methoxyphenoxy)-3-oxo-but-1-en-1-olate
IUPAC Name: 2-diazonio-1-[(2-ethoxy-2-oxoethyl)amino]-4-(2-methoxyphenoxy)-3-oxobut-1-en-1-olate
SYSTEMATIC NAME: 2-diazonio-1-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-(2-methoxyphenoxy)-3-oxidanylidene-but-1-en-1-olate
MOLECULAR FORMULA: C15H17N3O6
MOLECULAR WEIGHT: 335.31198
SMILES: CCOC(=O)CNC(=C(C(=O)COC1=CC=CC=C1OC)[N+]#N)[O-]
Structure:
CAS RN: 42204-47-7
CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbothioamide
OPENEYE Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
SYSTEMATIC NAME: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C12H14N4O4S
MOLECULAR WEIGHT: 310.32896
SMILES: C1=C2C(=CN(C2=NC=N1)C3C(C(C(O3)CO)O)O)C(=S)N
Structure:
CAS RN: 13160-56-0
CAS Name: N-(4-hydroxyphenyl)-4-nitrobenzamide
OPENEYE Name: N-(4-hydroxyphenyl)-4-nitro-benzamide
IUPAC Name: N-(4-hydroxyphenyl)-4-nitrobenzamide
SYSTEMATIC NAME: N-(4-hydroxyphenyl)-4-nitro-benzamide
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)O)[N+](=O)[O-]
Structure:
CAS RN: 21326-30-7
CAS Name: 5-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 5-[(3-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 5-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 5-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C12H9ClN2O2S
MOLECULAR WEIGHT: 280.73006
SMILES: C1=CC(=CC(=C1)Cl)CC2=C(NC(=S)NC2=O)C=O
Structure:
CAS RN: 21326-32-9
CAS Name: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 5-[(4-nitrophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 5-[(4-nitrophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C12H9N3O4S
MOLECULAR WEIGHT: 291.28256
SMILES: C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)[N+](=O)[O-]
Structure:
CAS RN: 53088-69-0
CAS Name: 2-(3-methylphenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(m-tolyl)acetate
IUPAC Name: methyl 2-(3-methylphenyl)acetate
SYSTEMATIC NAME: methyl 2-(3-methylphenyl)ethanoate
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=CC=C1)CC(=O)OC
Structure:
CAS RN: 56624-43-2
CAS Name: 3-[[(4-bromoanilino)-sulfanylidenemethyl]thio]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
IUPAC Name: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
SYSTEMATIC NAME: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
MOLECULAR FORMULA: C11H12BrNO2S2
MOLECULAR WEIGHT: 334.25248
SMILES: COC(=O)CCSC(=S)NC1=CC=C(C=C1)Br
Structure:
CAS RN: 31382-99-7
CAS Name: 2-isoquinolin-2-iumyl(phenyl)azanide
OPENEYE Name: isoquinolin-2-ium-2-yl(phenyl)azanide
IUPAC Name: isoquinolin-2-ium-2-yl(phenyl)azanide
SYSTEMATIC NAME: isoquinolin-2-ium-2-yl(phenyl)azanide
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: C1=CC=C(C=C1)[N-][N+]2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 22423-15-0
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5,6-dimethyl-1H-benzimidazole-2-thione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5,6-dimethyl-1H-benzimidazole-2-thione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-1H-benzimidazole-2-thione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5,6-dimethyl-1H-benzimidazole-2-thione
MOLECULAR FORMULA: C14H18N2O4S
MOLECULAR WEIGHT: 310.36872
SMILES: CC1=CC2=C(C=C1C)N(C(=S)N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 32403-26-2
CAS Name: 1-(1-adamantyl)-3-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]thiourea
MOLECULAR FORMULA: C22H30N4S
MOLECULAR WEIGHT: 382.5654
SMILES: CN(C)C1=CC=C(C=C1)C=CC=NNC(=S)NC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 6641-29-8
CAS Name: 2-[2,5-dihydroxy-N-(7H-purin-6-yl)anilino]benzene-1,4-diol
OPENEYE Name: 2-[2,5-dihydroxy-N-(7H-purin-6-yl)anilino]benzene-1,4-diol
IUPAC Name: 2-[2,5-dihydroxy-N-(7H-purin-6-yl)anilino]benzene-1,4-diol
SYSTEMATIC NAME: 2-[[2,5-bis(oxidanyl)phenyl]-(7H-purin-6-yl)amino]benzene-1,4-diol
MOLECULAR FORMULA: C17H13N5O4
MOLECULAR WEIGHT: 351.31622
SMILES: C1=CC(=C(C=C1O)N(C2=C(C=CC(=C2)O)O)C3=NC=NC4=C3NC=N4)O
Structure:
CAS RN: 6641-97-0
CAS Name: N,N'-bis(4-morpholinylmethyl)ethanedithioamide
OPENEYE Name: N,N'-bis(morpholinomethyl)ethanedithioamide
IUPAC Name: N,N'-bis(morpholin-4-ylmethyl)ethanedithioamide
SYSTEMATIC NAME: N,N'-bis(morpholin-4-ylmethyl)ethanedithioamide
MOLECULAR FORMULA: C12H22N4O2S2
MOLECULAR WEIGHT: 318.45868
SMILES: C1COCCN1CNC(=S)C(=S)NCN2CCOCC2
Structure:
CAS RN: 29147-13-5
CAS Name: 3-methyl-4-(3-nitrophenyl)azo-5-phenyl-1-pyrazolecarbothioamide
OPENEYE Name: 3-methyl-4-(3-nitrophenyl)azo-5-phenyl-pyrazole-1-carbothioamide
IUPAC Name: 3-methyl-4-[(3-nitrophenyl)diazenyl]-5-phenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 3-methyl-4-[(3-nitrophenyl)diazenyl]-5-phenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C17H14N6O2S
MOLECULAR WEIGHT: 366.39706
SMILES: CC1=NN(C(=C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=S)N
Structure:
CAS RN: 93942-76-8
CAS Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxo-5-benzo[de]isoquinolinesulfonic acid
OPENEYE Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxo-benzo[de]isoquinoline-5-sulfonic acid
IUPAC Name: 6-amino-2-(2,4-dimethylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
SYSTEMATIC NAME: 6-azanyl-2-(2,4-dimethylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-sulfonic acid
MOLECULAR FORMULA: C20H16N2O5S
MOLECULAR WEIGHT: 396.41644
SMILES: CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O)C
Structure:
CAS RN: 42951-65-5
CAS Name: 5-bromo-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine
OPENEYE Name: 5-bromo-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine
IUPAC Name: 5-bromo-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SYSTEMATIC NAME: 5-bromanyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine
MOLECULAR FORMULA: C8H9BrN4
MOLECULAR WEIGHT: 241.08786
SMILES: CC1=C(C(=NC2=NNC(=C12)N)C)Br
Structure:
CAS RN: 74247-53-3
CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6-(methylthio)-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ester
OPENEYE Name: [2,3,4,5-tetraacetoxy-6-methylsulfanyl-6-(6-thioxo-3H-purin-9-yl)hexyl] acetate
IUPAC Name: [2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] acetate
SYSTEMATIC NAME: [2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ethanoate
MOLECULAR FORMULA: C22H28N4O10S2
MOLECULAR WEIGHT: 572.60852
SMILES: CC(=O)OCC(C(C(C(C(N1C=NC2=C1NC=NC2=S)SC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 30346-03-3
CAS Name: 2-methyl-8-phenyl-5-sulfanylidene-2,3-dihydrooxazolo[3,2-c]pyrimidin-7-one
OPENEYE Name: 2-methyl-8-phenyl-5-thioxo-2,3-dihydrooxazolo[3,2-c]pyrimidin-7-one
IUPAC Name: 2-methyl-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
SYSTEMATIC NAME: 2-methyl-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
MOLECULAR FORMULA: C13H12N2O2S
MOLECULAR WEIGHT: 260.31158
SMILES: CC1CN2C(=C(C(=O)NC2=S)C3=CC=CC=C3)O1
Structure:
CAS RN: 5865-71-4
CAS Name: N-[[(4-methoxy-6-methyl-2-quinazolinyl)amino]-(1-oxopropylimino)methyl]propanamide
OPENEYE Name: N-[N-(4-methoxy-6-methyl-quinazolin-2-yl)-N'-propanoyl-carbamimidoyl]propanamide
IUPAC Name: N-[N-(4-methoxy-6-methylquinazolin-2-yl)-N'-propanoylcarbamimidoyl]propanamide
SYSTEMATIC NAME: N-[N-(4-methoxy-6-methyl-quinazolin-2-yl)-N'-propanoyl-carbamimidoyl]propanamide
MOLECULAR FORMULA: C17H21N5O3
MOLECULAR WEIGHT: 343.38034
SMILES: CCC(=O)NC(=NC(=O)CC)NC1=NC2=C(C=C(C=C2)C)C(=N1)OC
Structure:
CAS RN: 32471-10-6
CAS Name: 1-(1-adamantyl)-3-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(2,3,4,5,6-pentafluorophenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C18H18F5N3S
MOLECULAR WEIGHT: 403.412636
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C(=C(C(=C4F)F)F)F)F
Structure:
CAS RN: 5404-92-2
CAS Name: 2-hydrazinyl-7H-purin-6-amine
OPENEYE Name: 2-hydrazino-7H-purin-6-amine
IUPAC Name: 2-hydrazinyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-diazanyl-7H-purin-6-amine
MOLECULAR FORMULA: C5H7N7
MOLECULAR WEIGHT: 165.15598
SMILES: C1=NC2=C(N1)C(=NC(=N2)NN)N
Structure:
CAS RN: 5327-19-5
CAS Name: 2,6-dimethoxy-7H-purine
OPENEYE Name: 2,6-dimethoxy-7H-purine
IUPAC Name: 2,6-dimethoxy-7H-purine
SYSTEMATIC NAME: 2,6-dimethoxy-7H-purine
MOLECULAR FORMULA: C7H8N4O2
MOLECULAR WEIGHT: 180.16402
SMILES: COC1=NC(=NC2=C1NC=N2)OC
Structure:
CAS RN: 58819-93-5
CAS Name: [(6-methoxy-5-nitro-2-pyridinyl)amino]thiourea
OPENEYE Name: [(6-methoxy-5-nitro-2-pyridyl)amino]thiourea
IUPAC Name: [(6-methoxy-5-nitropyridin-2-yl)amino]thiourea
SYSTEMATIC NAME: 1-[(6-methoxy-5-nitro-pyridin-2-yl)amino]thiourea
MOLECULAR FORMULA: C7H9N5O3S
MOLECULAR WEIGHT: 243.24306
SMILES: COC1=C(C=CC(=N1)NNC(=S)N)[N+](=O)[O-]
Structure:
CAS RN: 80568-96-3
CAS Name: 5-(3-methylphenyl)-1H-pyrazol-3-amine
OPENEYE Name: 5-(m-tolyl)-1H-pyrazol-3-amine
IUPAC Name: 5-(3-methylphenyl)-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-(3-methylphenyl)-1H-pyrazol-3-amine
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: CC1=CC=CC(=C1)C2=CC(=NN2)N
Structure:
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