Sunday, May 27, 2012

http://ChemLookup.com Compounds




CAS RN: 39085-59-1
CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonohydrazide
OPENEYE Name: 2,4,6-triisopropylbenzenesulfonohydrazide
IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonohydrazide
SYSTEMATIC NAME: 2,4,6-tri(propan-2-yl)benzenesulfonohydrazide
MOLECULAR FORMULA: C15H26N2O2S
MOLECULAR WEIGHT: 298.44414
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN)C(C)C
Structure:

CAS RN: 84752-10-3
CAS Name: 4-diazonio-5-phenyl-1H-pyrazol-3-olate
OPENEYE Name: 4-diazonio-5-phenyl-1H-pyrazol-3-olate
IUPAC Name: 4-diazonio-5-phenyl-1H-pyrazol-3-olate
SYSTEMATIC NAME: 4-diazonio-5-phenyl-1H-pyrazol-3-olate
MOLECULAR FORMULA: C9H6N4O
MOLECULAR WEIGHT: 186.17014
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2)[O-])[N+]#N
Structure:

CAS RN: 36016-39-4
CAS Name: 2,4,6-trimethylbenzenesulfonic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester
OPENEYE Name: (tert-butoxycarbonylamino) 2,4,6-trimethylbenzenesulfonate
IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
SYSTEMATIC NAME: [(2-methylpropan-2-yl)oxycarbonylamino] 2,4,6-trimethylbenzenesulfonate
MOLECULAR FORMULA: C14H21NO5S
MOLECULAR WEIGHT: 315.38524
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)ONC(=O)OC(C)(C)C)C
Structure:

CAS RN: 4943-63-9
CAS Name: 6-ethoxy-3,6-dihydro-2H-pyran
OPENEYE Name: 6-ethoxy-3,6-dihydro-2H-pyran
IUPAC Name: 6-ethoxy-3,6-dihydro-2H-pyran
SYSTEMATIC NAME: 6-ethoxy-3,6-dihydro-2H-pyran
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOC1C=CCCO1
Structure:

CAS RN: 63-45-6
CAS Name: N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine; phosphoric acid
OPENEYE Name: N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine; phosphoric acid
IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; phosphoric acid
SYSTEMATIC NAME: N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; phosphoric acid
MOLECULAR FORMULA: C15H24N3O5P
MOLECULAR WEIGHT: 357.341921
SMILES: CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O
Structure:

CAS RN: 4943-58-2
CAS Name: 6-benzo[f][1,3]benzodioxolecarbonitrile
OPENEYE Name: benzo[f][1,3]benzodioxole-6-carbonitrile
IUPAC Name: benzo[f][1,3]benzodioxole-6-carbonitrile
SYSTEMATIC NAME: benzo[f][1,3]benzodioxole-6-carbonitrile
MOLECULAR FORMULA: C12H7NO2
MOLECULAR WEIGHT: 197.18948
SMILES: C1OC2=C(O1)C=C3C=C(C=CC3=C2)C#N
Structure:

CAS RN: 215229-17-7
CAS Name: 1-aminocyclohexane-1,4-dicarboxylic acid
OPENEYE Name: 1-aminocyclohexane-1,4-dicarboxylic acid
IUPAC Name: 1-aminocyclohexane-1,4-dicarboxylic acid
SYSTEMATIC NAME: 1-azanylcyclohexane-1,4-dicarboxylic acid
MOLECULAR FORMULA: C8H13NO4
MOLECULAR WEIGHT: 187.19312
SMILES: C1CC(CCC1C(=O)O)(C(=O)O)N
Structure:

CAS RN: 54184-81-5
CAS Name: 3-amino-5-methyl-1H-pyrazole-4-carboxamide
OPENEYE Name: 3-amino-5-methyl-1H-pyrazole-4-carboxamide
IUPAC Name: 3-amino-5-methyl-1H-pyrazole-4-carboxamide
SYSTEMATIC NAME: 3-azanyl-5-methyl-1H-pyrazole-4-carboxamide
MOLECULAR FORMULA: C5H8N4O
MOLECULAR WEIGHT: 140.14322
SMILES: CC1=C(C(=NN1)N)C(=O)N
Structure:

CAS RN: 121135-31-7
CAS Name: 1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
OPENEYE Name: 1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
IUPAC Name: 1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
SYSTEMATIC NAME: 1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CC=C2C(=C1)N(N=C[N+]2=O)[O-]
Structure:

CAS RN: 111888-32-5
CAS Name: 4-methoxy-1$l^{6},5-benzothiazepine 1,1-dioxide
OPENEYE Name: 4-methoxy-1$l^{6},5-benzothiazepine 1,1-dioxide
IUPAC Name: 4-methoxy-1$l^{6},5-benzothiazepine 1,1-dioxide
SYSTEMATIC NAME: 4-methoxy-1$l^{6},5-benzothiazepine 1,1-dioxide
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: COC1=NC2=CC=CC=C2S(=O)(=O)C=C1
Structure:

CAS RN: 10351-88-9
CAS Name: 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
OPENEYE Name: 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxy-benzene
IUPAC Name: 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
SYSTEMATIC NAME: 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxy-benzene
MOLECULAR FORMULA: C24H34O6
MOLECULAR WEIGHT: 418.52316
SMILES: COC[C@@H](CC1=CC(=C(C=C1)OC)OC)[C@H](CC2=CC(=C(C=C2)OC)OC)COC
Structure:

CAS RN: 20115-17-7
CAS Name: 2,6-bis[(dimethylamino)methyl]-1-cyclohexanone
OPENEYE Name: 2,6-bis[(dimethylamino)methyl]cyclohexanone
IUPAC Name: 2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
SYSTEMATIC NAME: 2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
MOLECULAR FORMULA: C12H24N2O
MOLECULAR WEIGHT: 212.33176
SMILES: CN(C)CC1CCCC(C1=O)CN(C)C
Structure:

CAS RN: 2478-21-9
CAS Name: 2,6-bis[(dimethylamino)methyl]-1-cyclohexanone
OPENEYE Name: 2,6-bis[(dimethylamino)methyl]cyclohexanone
IUPAC Name: 2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
SYSTEMATIC NAME: 2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
MOLECULAR FORMULA: C12H24N2O
MOLECULAR WEIGHT: 212.33176
SMILES: CN(C)CC1CCCC(C1=O)CN(C)C
Structure:

CAS RN: 20115-17-7
CAS Name: 2,6-bis[(dimethylamino)methyl]-1-cyclohexanone hydrochloride
OPENEYE Name: 2,6-bis[(dimethylamino)methyl]cyclohexanone hydrochloride
IUPAC Name: 2,6-bis[(dimethylamino)methyl]cyclohexan-1-one hydrochloride
SYSTEMATIC NAME: 2,6-bis[(dimethylamino)methyl]cyclohexan-1-one hydrochloride
MOLECULAR FORMULA: C12H25ClN2O
MOLECULAR WEIGHT: 248.7927
SMILES: CN(C)CC1CCCC(C1=O)CN(C)C.Cl
Structure:

CAS RN: 129224-79-9
CAS Name: 1-(1-benzothiophen-2-yl)-4-[2-(4-methyl-1-piperazinyl)ethylthio]phthalazine
OPENEYE Name: 1-(benzothiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phthalazine
IUPAC Name: 1-(1-benzothiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phthalazine
SYSTEMATIC NAME: 1-(1-benzothiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phthalazine
MOLECULAR FORMULA: C23H24N4S2
MOLECULAR WEIGHT: 420.59346
SMILES: CN1CCN(CC1)CCSC2=NN=C(C3=CC=CC=C32)C4=CC5=CC=CC=C5S4
Structure:

CAS RN: 124959-53-1
CAS Name: 1-(1-benzothiophen-2-yl)-4-[2-(4-methyl-1-piperazinyl)ethylthio]phthalazine
OPENEYE Name: 1-(benzothiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phthalazine
IUPAC Name: 1-(1-benzothiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phthalazine
SYSTEMATIC NAME: 1-(1-benzothiophen-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phthalazine
MOLECULAR FORMULA: C23H24N4S2
MOLECULAR WEIGHT: 420.59346
SMILES: CN1CCN(CC1)CCSC2=NN=C(C3=CC=CC=C32)C4=CC5=CC=CC=C5S4
Structure:

CAS RN: 129224-80-2
CAS Name: 1-[2-(4-methyl-1-piperazinyl)ethylthio]-4-(2-naphthalenyl)phthalazine
OPENEYE Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-(2-naphthyl)phthalazine
IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylphthalazine
SYSTEMATIC NAME: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-yl-phthalazine
MOLECULAR FORMULA: C25H26N4S
MOLECULAR WEIGHT: 414.56574
SMILES: CN1CCN(CC1)CCSC2=NN=C(C3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4
Structure:

CAS RN: 124959-54-2
CAS Name: 1-[2-(4-methyl-1-piperazinyl)ethylthio]-4-(2-naphthalenyl)phthalazine
OPENEYE Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-(2-naphthyl)phthalazine
IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylphthalazine
SYSTEMATIC NAME: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-yl-phthalazine
MOLECULAR FORMULA: C25H26N4S
MOLECULAR WEIGHT: 414.56574
SMILES: CN1CCN(CC1)CCSC2=NN=C(C3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4
Structure:

CAS RN: 129242-20-2
CAS Name: 4-(1-benzothiophen-2-yl)-5-methyl-2-[2-(4-methyl-1-piperazinyl)ethylthio]pyrimidine
OPENEYE Name: 4-(benzothiophen-2-yl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidine
IUPAC Name: 4-(1-benzothiophen-2-yl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidine
SYSTEMATIC NAME: 4-(1-benzothiophen-2-yl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidine
MOLECULAR FORMULA: C20H24N4S2
MOLECULAR WEIGHT: 384.56136
SMILES: CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)SCCN4CCN(CC4)C
Structure:

CAS RN: 129224-86-8
CAS Name: 2-[[3-[2-[2-(dimethylamino)ethylthio]-6-thiophen-2-yl-4-pyrimidinyl]phenyl]thio]-N,N-dimethylethanamine
OPENEYE Name: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-(2-thienyl)pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine
IUPAC Name: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-thiophen-2-ylpyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-thiophen-2-yl-pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C22H28N4S3
MOLECULAR WEIGHT: 444.67952
SMILES: CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CS3
Structure:

CAS RN: 131435-40-0
CAS Name: 2-[[3-[2-[2-(dimethylamino)ethylthio]-6-thiophen-2-yl-4-pyrimidinyl]phenyl]thio]-N,N-dimethylethanamine
OPENEYE Name: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-(2-thienyl)pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine
IUPAC Name: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-thiophen-2-ylpyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-thiophen-2-yl-pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C22H28N4S3
MOLECULAR WEIGHT: 444.67952
SMILES: CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CS3
Structure:

CAS RN: 131407-82-4
CAS Name: 2-[[4-[5-[2-[2-(dimethylamino)ethylthio]-5-methyl-4-pyrimidinyl]-2-thiophenyl]-5-methyl-2-pyrimidinyl]thio]-N,N-dimethylethanamine
OPENEYE Name: 2-[4-[5-[2-[2-(dimethylamino)ethylsulfanyl]-5-methyl-pyrimidin-4-yl]-2-thienyl]-5-methyl-pyrimidin-2-yl]sulfanyl-N,N-dimethyl-ethanamine
IUPAC Name: 2-[4-[5-[2-[2-(dimethylamino)ethylsulfanyl]-5-methylpyrimidin-4-yl]thiophen-2-yl]-5-methylpyrimidin-2-yl]sulfanyl-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[4-[5-[2-[2-(dimethylamino)ethylsulfanyl]-5-methyl-pyrimidin-4-yl]thiophen-2-yl]-5-methyl-pyrimidin-2-yl]sulfanyl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C22H30N6S3
MOLECULAR WEIGHT: 474.7088
SMILES: CC1=CN=C(N=C1C2=CC=C(S2)C3=NC(=NC=C3C)SCCN(C)C)SCCN(C)C
Structure:

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