Saturday, December 31, 2011

http://ChemLookup.com Compounds




CAS RN: 30101-72-5
CAS Name: 4-bromo-2-(4,6-diamino-1,3,5-triazin-2-yl)benzenediazonium
OPENEYE Name: 4-bromo-2-(4,6-diamino-1,3,5-triazin-2-yl)benzenediazonium
IUPAC Name: 4-bromo-2-(4,6-diamino-1,3,5-triazin-2-yl)benzenediazonium
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]-4-bromanyl-benzenediazonium
MOLECULAR FORMULA: C9H7BrN7+
MOLECULAR WEIGHT: 293.10278
SMILES: C1=CC(=C(C=C1Br)C2=NC(=NC(=N2)N)N)[N+]#N
Structure:

CAS RN: 7230-49-1
CAS Name: 9-methyl-7H-purin-9-ium-6-amine
OPENEYE Name: 9-methyl-7H-purin-9-ium-6-amine
IUPAC Name: 9-methyl-7H-purin-9-ium-6-amine
SYSTEMATIC NAME: 9-methyl-7H-purin-9-ium-6-amine
MOLECULAR FORMULA: C6H8N5+
MOLECULAR WEIGHT: 150.16122
SMILES: C[N+]1=CNC2=C1N=CN=C2N
Structure:

CAS RN: 80224-16-4
CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]acetic a
OPENEYE Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid
IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C40H66N14O9
MOLECULAR WEIGHT: 887.04044
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NCC(=O)O)N
Structure:

CAS RN: 36617-18-2
CAS Name: dodecanoic acid eicosyl ester
OPENEYE Name: icosyl dodecanoate
IUPAC Name: icosyl dodecanoate
SYSTEMATIC NAME: icosyl dodecanoate
MOLECULAR FORMULA: C32H64O2
MOLECULAR WEIGHT: 480.84936
SMILES: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
Structure:

CAS RN: 194151-99-0
CAS Name: 5,6,7,8-tetrahydroquinolin-5-ol
OPENEYE Name: 5,6,7,8-tetrahydroquinolin-5-ol
IUPAC Name: 5,6,7,8-tetrahydroquinolin-5-ol
SYSTEMATIC NAME: 5,6,7,8-tetrahydroquinolin-5-ol
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1CC(C2=C(C1)N=CC=C2)O
Structure:

CAS RN: 105640-07-1
CAS Name: 4-(4-hydroxyphenyl)-1-cyclohexanone
OPENEYE Name: 4-(4-hydroxyphenyl)cyclohexanone
IUPAC Name: 4-(4-hydroxyphenyl)cyclohexan-1-one
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)cyclohexan-1-one
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C1CC(=O)CCC1C2=CC=C(C=C2)O
Structure:

CAS RN: 25253-77-4
CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C11H15N5O5S
MOLECULAR WEIGHT: 329.3323
SMILES: C1=NC2=C(C(=N1)N)NC(=N2)SC3C(C(C(C(O3)CO)O)O)O
Structure:

CAS RN: 588674-76-4
CAS Name: 3-(5-ethyl-3-thiophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(5-ethyl-3-thienyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(5-ethylthiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(5-ethylthiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H11N3S2
MOLECULAR WEIGHT: 225.33374
SMILES: CCC1=CC(=CS1)C2=NNC(=S)N2C
Structure:

CAS RN: 70886-37-2
CAS Name: N-(2-hydroxy-3,5-dinitrophenyl)formamide
OPENEYE Name: N-(2-hydroxy-3,5-dinitro-phenyl)formamide
IUPAC Name: N-(2-hydroxy-3,5-dinitrophenyl)formamide
SYSTEMATIC NAME: N-(3,5-dinitro-2-oxidanyl-phenyl)methanamide
MOLECULAR FORMULA: C7H5N3O6
MOLECULAR WEIGHT: 227.1311
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)NC=O)[N+](=O)[O-]
Structure:

CAS RN: 5995-86-8
CAS Name: 3,4,5-trihydroxybenzoate
OPENEYE Name: 3,4,5-trihydroxybenzoate
IUPAC Name: 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C7H5O5-
MOLECULAR WEIGHT: 169.1116
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)[O-]
Structure:

CAS RN: 667413-66-3
CAS Name: 3-[1-(2,3-dimethylphenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-[1-(2,3-dimethylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[1-(2,3-dimethylphenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[1-(2,3-dimethylphenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C15H19N3OS
MOLECULAR WEIGHT: 289.39586
SMILES: CC1=C(C(=CC=C1)OC(C)C2=NNC(=S)N2CC=C)C
Structure:

CAS RN: 438227-14-6
CAS Name: 8-methyl-2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid
OPENEYE Name: 8-methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
IUPAC Name: 8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(O3)C
Structure:

CAS RN: 524934-36-9
CAS Name: 4,5-dimethyl-3-thiophenecarbohydrazide
OPENEYE Name: 4,5-dimethylthiophene-3-carbohydrazide
IUPAC Name: 4,5-dimethylthiophene-3-carbohydrazide
SYSTEMATIC NAME: 4,5-dimethylthiophene-3-carbohydrazide
MOLECULAR FORMULA: C7H10N2OS
MOLECULAR WEIGHT: 170.2321
SMILES: CC1=C(SC=C1C(=O)NN)C
Structure:

CAS RN: 62669-60-7
CAS Name: ethyl-[9-(ethylamino)-10-methyl-5-benzo[a]phenoxazinylidene]ammonium
OPENEYE Name: ethyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]ammonium
IUPAC Name: ethyl-[9-(ethylamino)-10-methylbenzo[a]phenoxazin-5-ylidene]azanium
SYSTEMATIC NAME: ethyl-[9-(ethylamino)-10-methyl-benzo[a]phenoxazin-5-ylidene]azanium
MOLECULAR FORMULA: C21H22N3O+
MOLECULAR WEIGHT: 332.41888
SMILES: CCNC1=CC2=C(C=C1C)N=C3C4=CC=CC=C4C(=[NH+]CC)C=C3O2
Structure:

CAS RN: 17756-29-5
CAS Name: 9-(5-hydroxypentyl)-3H-purine-6-thione
OPENEYE Name: 9-(5-hydroxypentyl)-3H-purine-6-thione
IUPAC Name: 9-(5-hydroxypentyl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-(5-oxidanylpentyl)-3H-purine-6-thione
MOLECULAR FORMULA: C10H14N4OS
MOLECULAR WEIGHT: 238.30936
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)CCCCCO
Structure:

CAS RN: 64781-75-5
CAS Name: (3-diazonio-4-pyrazolylidene)-ethoxymethanolate
OPENEYE Name: (3-diazoniopyrazol-4-ylidene)-ethoxy-methanolate
IUPAC Name: (3-diazoniopyrazol-4-ylidene)-ethoxymethanolate
SYSTEMATIC NAME: (3-diazoniopyrazol-4-ylidene)-ethoxy-methanolate
MOLECULAR FORMULA: C6H6N4O2
MOLECULAR WEIGHT: 166.13744
SMILES: CCOC(=C1C=NN=C1[N+]#N)[O-]
Structure:

CAS RN: 6330-03-6
CAS Name: N-[2-(N-[anilino(sulfanylidene)methyl]anilino)-2-oxoethyl]benzamide
OPENEYE Name: N-[2-oxo-2-[N-(phenylcarbamothioyl)anilino]ethyl]benzamide
IUPAC Name: N-[2-oxo-2-[N-(phenylcarbamothioyl)anilino]ethyl]benzamide
SYSTEMATIC NAME: N-[2-oxidanylidene-2-[phenyl(phenylcarbamothioyl)amino]ethyl]benzamide
MOLECULAR FORMULA: C22H19N3O2S
MOLECULAR WEIGHT: 389.47016
SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)N(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3
Structure:

CAS RN: 71123-43-8
CAS Name: 3,5-dinitro-N'-(2,4,6-trinitroanilino)benzenecarboximidamide
OPENEYE Name: 3,5-dinitro-N'-(2,4,6-trinitroanilino)benzamidine
IUPAC Name: 3,5-dinitro-N'-(2,4,6-trinitroanilino)benzenecarboximidamide
SYSTEMATIC NAME: 3,5-dinitro-N'-[(2,4,6-trinitrophenyl)amino]benzenecarboximidamide
MOLECULAR FORMULA: C13H8N8O10
MOLECULAR WEIGHT: 436.25022
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=NNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N
Structure:

CAS RN: 63983-53-9
CAS Name: 7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
OPENEYE Name: 7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxo-heptanoic acid
IUPAC Name: 7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
SYSTEMATIC NAME: 7-[3,5-bis(oxidanyl)-2-(3-oxidanylideneoctyl)cyclopentyl]-6-oxidanylidene-heptanoic acid
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: CCCCCC(=O)CCC1C(CC(C1CC(=O)CCCCC(=O)O)O)O
Structure:

CAS RN: 76289-19-5
CAS Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-bromophenyl)thiourea
OPENEYE Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-bromophenyl)thiourea
IUPAC Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-bromophenyl)thiourea
SYSTEMATIC NAME: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(4-bromophenyl)thiourea
MOLECULAR FORMULA: C25H27BrN2O2S
MOLECULAR WEIGHT: 499.46308
SMILES: CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)NC(=S)NC3=CC=C(C=C3)Br
Structure:

CAS RN: 6492-97-3
CAS Name: 8-(3,3-dimethylbutylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C13H20N4OS2
MOLECULAR WEIGHT: 312.4541
SMILES: CC(C)(C)CCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C
Structure:

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