CAS RN: 100366-66-3
CAS Name: 2,6-bis(6-bromo-2-pyridinyl)pyridine
OPENEYE Name: 2,6-bis(6-bromo-2-pyridyl)pyridine
IUPAC Name: 2,6-bis(6-bromopyridin-2-yl)pyridine
SYSTEMATIC NAME: 2,6-bis(6-bromanylpyridin-2-yl)pyridine
MOLECULAR FORMULA: C15H9Br2N3
MOLECULAR WEIGHT: 391.06006
SMILES: C1=CC(=NC(=C1)C2=NC(=CC=C2)Br)C3=NC(=CC=C3)Br
Structure:
CAS RN: 5383-82-4
CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoate
OPENEYE Name: 4-(1,3-dioxoisoindolin-2-yl)benzoate
IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)benzoate
SYSTEMATIC NAME: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate
MOLECULAR FORMULA: C15H8NO4-
MOLECULAR WEIGHT: 266.22832
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 435342-20-4
CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolamine
OPENEYE Name: 1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine
IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine
SYSTEMATIC NAME: 1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine
MOLECULAR FORMULA: C14H21N4+
MOLECULAR WEIGHT: 245.34334
SMILES: C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2N
Structure:
CAS RN: 3856-10-8
CAS Name: (6-hydrazinyl-5-nitro-4-pyrimidinyl)hydrazine
OPENEYE Name: (6-hydrazino-5-nitro-pyrimidin-4-yl)hydrazine
IUPAC Name: (6-hydrazinyl-5-nitropyrimidin-4-yl)hydrazine
SYSTEMATIC NAME: (6-diazanyl-5-nitro-pyrimidin-4-yl)diazane
MOLECULAR FORMULA: C4H7N7O2
MOLECULAR WEIGHT: 185.14408
SMILES: C1=NC(=C(C(=N1)NN)[N+](=O)[O-])NN
Structure:
CAS RN: 178811-40-0
CAS Name: 3-(tert-butylthio)-2-pyridinecarbonitrile
OPENEYE Name: 3-tert-butylsulfanylpyridine-2-carbonitrile
IUPAC Name: 3-tert-butylsulfanylpyridine-2-carbonitrile
SYSTEMATIC NAME: 3-tert-butylsulfanylpyridine-2-carbonitrile
MOLECULAR FORMULA: C10H12N2S
MOLECULAR WEIGHT: 192.28068
SMILES: CC(C)(C)SC1=C(N=CC=C1)C#N
Structure:
CAS RN: 7133-57-5
CAS Name: 2-hydroxy-N-(3-methylphenyl)benzamide
OPENEYE Name: 2-hydroxy-N-(m-tolyl)benzamide
IUPAC Name: 2-hydroxy-N-(3-methylphenyl)benzamide
SYSTEMATIC NAME: N-(3-methylphenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2O
Structure:
CAS RN: 31349-13-0
CAS Name: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]benzamide
OPENEYE Name: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-yl]methyleneamino]benzamide
IUPAC Name: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]benzamide
SYSTEMATIC NAME: N-[[5-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]benzamide
MOLECULAR FORMULA: C19H15ClN4O2S
MOLECULAR WEIGHT: 398.866
SMILES: C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=O)NC(=S)N2)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 1816-89-3
CAS Name: 2-azido-1,2-diphenylethanone
OPENEYE Name: 2-azido-1,2-diphenyl-ethanone
IUPAC Name: 2-azido-1,2-diphenylethanone
SYSTEMATIC NAME: 2-azido-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C14H11N3O
MOLECULAR WEIGHT: 237.25664
SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)N=[N+]=[N-]
Structure:
CAS RN: 71189-15-6
CAS Name: 2-(isocyanatomethyl)furan
OPENEYE Name: 2-(isocyanatomethyl)furan
IUPAC Name: 2-(isocyanatomethyl)furan
SYSTEMATIC NAME: 2-(isocyanatomethyl)furan
MOLECULAR FORMULA: C6H5NO2
MOLECULAR WEIGHT: 123.1094
SMILES: C1=COC(=C1)CN=C=O
Structure:
CAS RN: 4788-62-9
CAS Name: 4-[acetyl-(4-azido-3-oxobutyl)amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[acetyl-(4-azido-3-oxo-butyl)amino]benzoate
IUPAC Name: ethyl 4-[acetyl-(4-azido-3-oxobutyl)amino]benzoate
SYSTEMATIC NAME: ethyl 4-[(4-azido-3-oxidanylidene-butyl)-ethanoyl-amino]benzoate
MOLECULAR FORMULA: C15H18N4O4
MOLECULAR WEIGHT: 318.32782
SMILES: CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CN=[N+]=[N-])C(=O)C
Structure:
CAS RN: 6638-31-9
CAS Name: N-(2-methylprop-2-enyl)ethanethioamide
OPENEYE Name: N-(2-methylallyl)thioacetamide
IUPAC Name: N-(2-methylprop-2-enyl)ethanethioamide
SYSTEMATIC NAME: N-(2-methylprop-2-enyl)ethanethioamide
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: CC(=C)CNC(=S)C
Structure:
CAS RN: 53221-73-1
CAS Name: 2-nitro-N-[4-(pyridin-4-ylamino)phenyl]-4-(4-quinolinylamino)benzamide
OPENEYE Name: 2-nitro-N-[4-(4-pyridylamino)phenyl]-4-(4-quinolylamino)benzamide
IUPAC Name: 2-nitro-N-[4-(pyridin-4-ylamino)phenyl]-4-(quinolin-4-ylamino)benzamide
SYSTEMATIC NAME: 2-nitro-N-[4-(pyridin-4-ylamino)phenyl]-4-(quinolin-4-ylamino)benzamide
MOLECULAR FORMULA: C27H20N6O3
MOLECULAR WEIGHT: 476.4861
SMILES: C1=CC=C2C(=C1)C(=CC=N2)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=NC=C5)[N+](=O)[O-]
Structure:
CAS RN: 72367-12-5
CAS Name: 2-[[(2-azidophenyl)-oxomethyl]amino]-N-methylbenzamide
OPENEYE Name: 2-[(2-azidobenzoyl)amino]-N-methyl-benzamide
IUPAC Name: 2-[(2-azidobenzoyl)amino]-N-methylbenzamide
SYSTEMATIC NAME: 2-[(2-azidophenyl)carbonylamino]-N-methyl-benzamide
MOLECULAR FORMULA: C15H13N5O2
MOLECULAR WEIGHT: 295.29602
SMILES: CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2N=[N+]=[N-]
Structure:
CAS RN: 78295-88-2
CAS Name: 2,8-dichloro-N-(2-furanylmethyl)-7H-purin-6-amine
OPENEYE Name: 2,8-dichloro-N-(2-furylmethyl)-7H-purin-6-amine
IUPAC Name: 2,8-dichloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
SYSTEMATIC NAME: 2,8-bis(chloranyl)-N-(furan-2-ylmethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C10H7Cl2N5O
MOLECULAR WEIGHT: 284.10148
SMILES: C1=COC(=C1)CNC2=NC(=NC3=C2NC(=N3)Cl)Cl
Structure:
CAS RN: 64232-87-7
CAS Name: 6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-amino-5-(1,3-benzodioxol-5-ylmethyleneamino)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-amino-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-5-(1,3-benzodioxol-5-ylmethylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H10N4O3S
MOLECULAR WEIGHT: 290.2978
SMILES: C1OC2=C(O1)C=C(C=C2)C=NC3=C(NC(=S)NC3=O)N
Structure:
CAS RN: 7153-53-9
CAS Name: 6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
OPENEYE Name: 6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylic acid
IUPAC Name: 6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
SYSTEMATIC NAME: 6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylic acid
MOLECULAR FORMULA: C5H6N2O3S
MOLECULAR WEIGHT: 174.17774
SMILES: C1C(NC(=S)NC1=O)C(=O)O
Structure:
CAS RN: 92723-90-5
CAS Name: 2-amino-9-(phenylmethyl)-3H-purine-6-thione
OPENEYE Name: 2-amino-9-benzyl-3H-purine-6-thione
IUPAC Name: 2-amino-9-benzyl-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-(phenylmethyl)-3H-purine-6-thione
MOLECULAR FORMULA: C12H11N5S
MOLECULAR WEIGHT: 257.31424
SMILES: C1=CC=C(C=C1)CN2C=NC3=C2NC(=NC3=S)N
Structure:
CAS RN: 79673-53-3
CAS Name: 2-(1H-pyrrol-2-yl)acetic acid
OPENEYE Name: 2-(1H-pyrrol-2-yl)acetic acid
IUPAC Name: 2-(1H-pyrrol-2-yl)acetic acid
SYSTEMATIC NAME: 2-(1H-pyrrol-2-yl)ethanoic acid
MOLECULAR FORMULA: C6H7NO2
MOLECULAR WEIGHT: 125.12528
SMILES: C1=CNC(=C1)CC(=O)O
Structure:
CAS RN: 16525-35-2
CAS Name: N-cyclohexyl-2-phenylethanethioamide
OPENEYE Name: N-cyclohexyl-2-phenyl-thioacetamide
IUPAC Name: N-cyclohexyl-2-phenylethanethioamide
SYSTEMATIC NAME: N-cyclohexyl-2-phenyl-ethanethioamide
MOLECULAR FORMULA: C14H19NS
MOLECULAR WEIGHT: 233.37236
SMILES: C1CCC(CC1)NC(=S)CC2=CC=CC=C2
Structure:
CAS RN: 66870-08-4
CAS Name: 3-amino-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-amino-4-benzyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-amino-4-benzyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-azanyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H10N4S
MOLECULAR WEIGHT: 206.2675
SMILES: C1=CC=C(C=C1)CN2C(=NNC2=S)N
Structure:
CAS RN: 5399-96-2
CAS Name: 3-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-7-thione
OPENEYE Name: 3-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-7-thione
IUPAC Name: 3-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-7-thione
SYSTEMATIC NAME: 3-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-7-thione
MOLECULAR FORMULA: C6H6N4S
MOLECULAR WEIGHT: 166.20364
SMILES: CC1=C2C(=NN1)C(=S)N=CN2
Structure:
CAS RN: 58554-24-8
CAS Name: 4-methyl-N-[[[1-naphthalenyl(sulfanylidene)methyl]amino]-oxomethyl]benzamide
OPENEYE Name: 4-methyl-N-(naphthalene-1-carbothioylcarbamoyl)benzamide
IUPAC Name: 4-methyl-N-(naphthalene-1-carbothioylcarbamoyl)benzamide
SYSTEMATIC NAME: 4-methyl-N-(naphthalen-1-ylcarbothioylcarbamoyl)benzamide
MOLECULAR FORMULA: C20H16N2O2S
MOLECULAR WEIGHT: 348.41824
SMILES: CC1=CC=C(C=C1)C(=O)NC(=O)NC(=S)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 158956-23-1
CAS Name: 2,5-dibromo-3-decylthiophene
OPENEYE Name: 2,5-dibromo-3-decyl-thiophene
IUPAC Name: 2,5-dibromo-3-decylthiophene
SYSTEMATIC NAME: 2,5-bis(bromanyl)-3-decyl-thiophene
MOLECULAR FORMULA: C14H22Br2S
MOLECULAR WEIGHT: 382.19748
SMILES: CCCCCCCCCCC1=C(SC(=C1)Br)Br
Structure:
CAS RN: 57200-31-4
CAS Name: [amino-(propan-2-ylthio)methylidene]ammonium
OPENEYE Name: [amino(isopropylsulfanyl)methylene]ammonium
IUPAC Name: [amino(propan-2-ylsulfanyl)methylidene]azanium
SYSTEMATIC NAME: [azanyl(propan-2-ylsulfanyl)methylidene]azanium
MOLECULAR FORMULA: C4H11N2S+
MOLECULAR WEIGHT: 119.20854
SMILES: CC(C)SC(=[NH2+])N
Structure:
CAS RN: 33371-73-2
CAS Name: 1-[[5-[[anilino(sulfanylidene)methyl]hydrazo]-1,5-dioxopentyl]amino]-3-phenylthiourea
OPENEYE Name: 1-[[5-oxo-5-[2-(phenylcarbamothioyl)hydrazino]pentanoyl]amino]-3-phenyl-thiourea
IUPAC Name: 1-[[5-oxo-5-[2-(phenylcarbamothioyl)hydrazinyl]pentanoyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[[5-oxidanylidene-5-[2-(phenylcarbamothioyl)hydrazinyl]pentanoyl]amino]-3-phenyl-thiourea
MOLECULAR FORMULA: C19H22N6O2S2
MOLECULAR WEIGHT: 430.54698
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CCCC(=O)NNC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 1590-22-3
CAS Name: 4-(2-naphthalenyl)-4-oxobutanoate
OPENEYE Name: 4-(2-naphthyl)-4-oxo-butanoate
IUPAC Name: 4-naphthalen-2-yl-4-oxobutanoate
SYSTEMATIC NAME: 4-naphthalen-2-yl-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C14H11O3-
MOLECULAR WEIGHT: 227.23534
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CCC(=O)[O-]
Structure:
CAS RN: 31349-16-3
CAS Name: 6-(dimethoxymethyl)-5-(2-phenylethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-(2-phenylethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-(2-phenylethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-(2-phenylethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C15H18N2O3S
MOLECULAR WEIGHT: 306.38002
SMILES: COC(C1=C(C(=O)NC(=S)N1)CCC2=CC=CC=C2)OC
Structure:
CAS RN: 81263-32-3
CAS Name: 1-[4-[1-(carbamothioylhydrazinylidene)ethyl]phenyl]-3-methylurea
OPENEYE Name: 1-[4-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]-3-methyl-urea
IUPAC Name: 1-[4-[N-(carbamothioylamino)-C-methylcarbonimidoyl]phenyl]-3-methylurea
SYSTEMATIC NAME: 1-[4-[N-(carbamothioylamino)-C-methyl-carbonimidoyl]phenyl]-3-methyl-urea
MOLECULAR FORMULA: C11H15N5OS
MOLECULAR WEIGHT: 265.3347
SMILES: CC(=NNC(=S)N)C1=CC=C(C=C1)NC(=O)NC
Structure:
CAS RN: 89603-53-2
CAS Name: 3-amino-N-methyl-1,2,4-triazole-1-carbothioamide
OPENEYE Name: 3-amino-N-methyl-1,2,4-triazole-1-carbothioamide
IUPAC Name: 3-amino-N-methyl-1,2,4-triazole-1-carbothioamide
SYSTEMATIC NAME: 3-azanyl-N-methyl-1,2,4-triazole-1-carbothioamide
MOLECULAR FORMULA: C4H7N5S
MOLECULAR WEIGHT: 157.19688
SMILES: CNC(=S)N1C=NC(=N1)N
Structure:
CAS RN: 75224-82-7
CAS Name: [(6-bromo-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methylideneamino]thiourea
OPENEYE Name: [(6-bromo-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methyleneamino]thiourea
IUPAC Name: [(6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-bromanyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C7H8BrN5S2
MOLECULAR WEIGHT: 306.20592
SMILES: C1CSC2=NC(=C(N21)C=NNC(=S)N)Br
Structure:
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