Saturday, March 31, 2012

http://ChemLookup.com Compounds




CAS RN: 5981-98-6
CAS Name: 4-(3-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: 4-(3-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: 4-(3-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-(3-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C19H18ClN3O2S
MOLECULAR WEIGHT: 387.88312
SMILES: CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3OC
Structure:

CAS RN: 5979-84-0
CAS Name: 2-[2-(diethylamino)ethylthio]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride
OPENEYE Name: 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride
IUPAC Name: 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride
SYSTEMATIC NAME: 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one hydrochloride
MOLECULAR FORMULA: C12H22ClN3O2S
MOLECULAR WEIGHT: 307.83998
SMILES: CCC1=C(N=C(NC1=O)SCCN(CC)CC)O.Cl
Structure:

CAS RN: 5979-81-7
CAS Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
OPENEYE Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C26H23FN2O2
MOLECULAR WEIGHT: 414.471423
SMILES: COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)F)C(=O)C2
Structure:

CAS RN: 5978-67-6
CAS Name: 6-amino-3-methyl-4-(5-methyl-2-furanyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
OPENEYE Name: 6-amino-3-methyl-4-(5-methyl-2-furyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC Name: 6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CC1=CC=C(O1)C2C(=C(OC3=NNC(=C23)C)N)C#N
Structure:

CAS RN: 5977-50-4
CAS Name: 5-benzoyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
OPENEYE Name: 5-benzoyl-6-(3-ethoxy-4-hydroxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC Name: 5-benzoyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: 6-(3-ethoxy-4-oxidanyl-phenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C30H30N2O4
MOLECULAR WEIGHT: 482.5702
SMILES: CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5)O
Structure:

CAS RN: 5976-56-7
CAS Name: 3-[[4-(diethylamino)anilino]-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid
OPENEYE Name: 3-[[4-(diethylamino)phenyl]carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid
IUPAC Name: 3-[[4-(diethylamino)phenyl]carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[4-(diethylamino)phenyl]carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: CCN(CC)C1=CC=C(C=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O
Structure:

CAS RN: 5976-09-0
CAS Name: 6-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 6-(3-methoxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate
IUPAC Name: methyl 6-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 6-(3-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H18N2O3S
MOLECULAR WEIGHT: 306.38002
SMILES: CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)OC)C(=O)OC
Structure:

CAS RN: 5975-86-0
CAS Name: 7-methyl-5-(4-nitrophenyl)-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
OPENEYE Name: 7-methyl-5-(4-nitrophenyl)-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
IUPAC Name: 7-methyl-5-(4-nitrophenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 7-methyl-5-(4-nitrophenyl)-3-oxidanylidene-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: CC1=C(C(N2C(=O)CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4
Structure:

CAS RN: 5975-26-8
CAS Name: 6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
OPENEYE Name: 6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC Name: 6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: 6-(3-bromophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C26H23BrN2O2
MOLECULAR WEIGHT: 475.37702
SMILES: COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)Br)C(=O)C2
Structure:

CAS RN: 5975-10-0
CAS Name: (4-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone
OPENEYE Name: (4-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
IUPAC Name: (4-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SYSTEMATIC NAME: (4-bromophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C18H15BrN4O3S
MOLECULAR WEIGHT: 447.3057
SMILES: C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Br
Structure:

CAS RN: 5631-56-1
CAS Name: 3-(4-bromophenyl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole
OPENEYE Name: 3-(4-bromophenyl)-5-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-1,2,4-oxadiazole
IUPAC Name: 3-(4-bromophenyl)-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(4-bromophenyl)-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C18H11BrClN3O2
MOLECULAR WEIGHT: 416.65584
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC=C(C=C4)Br
Structure:

CAS RN: 5974-84-5
CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-methyl-1-piperazinyl)methanone
OPENEYE Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SYSTEMATIC NAME: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C15H17ClN2OS
MOLECULAR WEIGHT: 308.82628
SMILES: CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C)Cl
Structure:

CAS RN: 5973-77-3
CAS Name: 4-methyl-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]thiazole-5-carboxylate
IUPAC Name: ethyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-[(5-nitrothiophen-2-yl)carbonylamino]-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C12H11N3O5S2
MOLECULAR WEIGHT: 341.36284
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])C
Structure:

CAS RN: 5973-52-4
CAS Name: 5-[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid
OPENEYE Name: 5-[[2-(2-sec-butylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
IUPAC Name: 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 5-[2-(2-butan-2-ylphenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C20H21NO6
MOLECULAR WEIGHT: 371.38384
SMILES: CCC(C)C1=CC=CC=C1OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O
Structure:

CAS RN: 5973-47-7
CAS Name: 2-(1-cyclohex-2-enylthio)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-cyclohex-2-en-1-ylsulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 2-cyclohex-2-en-1-ylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-cyclohex-2-en-1-ylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C16H18N2OS2
MOLECULAR WEIGHT: 318.45692
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SC4CCCC=C4
Structure:

CAS RN: 5973-23-9
CAS Name: 4-(2-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: 4-(2-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: 4-(2-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-(2-bromophenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C19H18BrN3O2S
MOLECULAR WEIGHT: 432.33412
SMILES: CC1=C(C(NC(=S)N1)C2=CC=CC=C2Br)C(=O)NC3=CC=CC=C3OC
Structure:

CAS RN: 5972-31-6
CAS Name: 2-(4-butan-2-ylphenoxy)-N-[2-(2,3-dimethylphenyl)-1,3-dioxo-5-isoindolyl]acetamide
OPENEYE Name: N-[2-(2,3-dimethylphenyl)-1,3-dioxo-isoindolin-5-yl]-2-(4-sec-butylphenoxy)acetamide
IUPAC Name: 2-(4-butan-2-ylphenoxy)-N-[2-(2,3-dimethylphenyl)-1,3-dioxoisoindol-5-yl]acetamide
SYSTEMATIC NAME: 2-(4-butan-2-ylphenoxy)-N-[2-(2,3-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]ethanamide
MOLECULAR FORMULA: C28H28N2O4
MOLECULAR WEIGHT: 456.53292
SMILES: CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4C)C
Structure:

CAS RN: 5971-05-1
CAS Name: 2-[[(4-chloroanilino)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: 2-[(4-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: 2-[(4-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C17H18ClN3O2S
MOLECULAR WEIGHT: 363.86172
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)NC3=CC=C(C=C3)Cl
Structure:

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