Wednesday, June 27, 2012

http://ChemLookup.com Compounds




CAS RN: 51374-71-1
CAS Name: 2-hydroxy-1,3,2$l^{5}-dioxaphosphepane 2-oxide
OPENEYE Name: 2-hydroxy-1,3,2$l^{5}-dioxaphosphepane 2-oxide
IUPAC Name: 2-hydroxy-1,3,2$l^{5}-dioxaphosphepane 2-oxide
SYSTEMATIC NAME: 2-oxidanyl-1,3,2$l^{5}-dioxaphosphepane 2-oxide
MOLECULAR FORMULA: C4H9O4P
MOLECULAR WEIGHT: 152.085621
SMILES: C1CCOP(=O)(OC1)O
Structure:

CAS RN: 57103-51-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13N3O
MOLECULAR WEIGHT: 287.31532
SMILES: C1CN2C(=CC3=C(C2=O)C=NC=C3)C4=C1C5=CC=CC=C5N4
Structure:

CAS RN: 65117-43-3
CAS Name: N-methyl-N,2-diphenyl-2-sulfanylideneacetamide
OPENEYE Name: N-methyl-N,2-diphenyl-2-thioxo-acetamide
IUPAC Name: N-methyl-N,2-diphenyl-2-sulfanylideneacetamide
SYSTEMATIC NAME: N-methyl-N,2-diphenyl-2-sulfanylidene-ethanamide
MOLECULAR FORMULA: C15H13NOS
MOLECULAR WEIGHT: 255.33482
SMILES: CN(C1=CC=CC=C1)C(=O)C(=S)C2=CC=CC=C2
Structure:

CAS RN: 65117-42-2
CAS Name: 2-phenyl-N,N-bis(phenylmethyl)-2-sulfanylideneacetamide
OPENEYE Name: N,N-dibenzyl-2-phenyl-2-thioxo-acetamide
IUPAC Name: N,N-dibenzyl-2-phenyl-2-sulfanylideneacetamide
SYSTEMATIC NAME: 2-phenyl-N,N-bis(phenylmethyl)-2-sulfanylidene-ethanamide
MOLECULAR FORMULA: C22H19NOS
MOLECULAR WEIGHT: 345.45736
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C(=S)C3=CC=CC=C3
Structure:

CAS RN: 55970-45-1
CAS Name: 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
IUPAC Name: diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
MOLECULAR FORMULA: C20H20O4S2
MOLECULAR WEIGHT: 388.5004
SMILES: CCOC(=O)C1(SC(S1)(C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3
Structure:

CAS RN: 15088-49-0
CAS Name: 2,2-dimethyl-1,3-dithiolane-4,5-dione
OPENEYE Name: 2,2-dimethyl-1,3-dithiolane-4,5-dione
IUPAC Name: 2,2-dimethyl-1,3-dithiolane-4,5-dione
SYSTEMATIC NAME: 2,2-dimethyl-1,3-dithiolane-4,5-dione
MOLECULAR FORMULA: C5H6O2S2
MOLECULAR WEIGHT: 162.22994
SMILES: CC1(SC(=O)C(=O)S1)C
Structure:

CAS RN: 64148-56-7
CAS Name: 4-[methoxy(sulfanylidene)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-methoxycarbothioylbenzoate
IUPAC Name: methyl 4-methoxycarbothioylbenzoate
SYSTEMATIC NAME: methyl 4-methoxycarbothioylbenzoate
MOLECULAR FORMULA: C10H10O3S
MOLECULAR WEIGHT: 210.2496
SMILES: COC(=O)C1=CC=C(C=C1)C(=S)OC
Structure:

CAS RN: 64148-53-4
CAS Name: 5-tert-butylbenzene-1,3-dicarbothioic acid O1,O3-diethyl ester
OPENEYE Name: O1,O3-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
IUPAC Name: 1-O,3-O-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
SYSTEMATIC NAME: O1,O3-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
MOLECULAR FORMULA: C16H22O2S2
MOLECULAR WEIGHT: 310.47468
SMILES: CCOC(=S)C1=CC(=CC(=C1)C(C)(C)C)C(=S)OCC
Structure:

CAS RN: 36438-69-4
CAS Name: benzene-1,3-dicarbothioic acid O1,O3-diethyl ester
OPENEYE Name: O1,O3-diethyl benzene-1,3-dicarbothioate
IUPAC Name: 1-O,3-O-diethyl benzene-1,3-dicarbothioate
SYSTEMATIC NAME: O1,O3-diethyl benzene-1,3-dicarbothioate
MOLECULAR FORMULA: C12H14O2S2
MOLECULAR WEIGHT: 254.36836
SMILES: CCOC(=S)C1=CC(=CC=C1)C(=S)OCC
Structure:

CAS RN: 58863-44-8
CAS Name: 2,6-dimethylbenzenecarbodithioic acid methyl ester
OPENEYE Name: methyl 2,6-dimethylbenzenecarbodithioate
IUPAC Name: methyl 2,6-dimethylbenzenecarbodithioate
SYSTEMATIC NAME: methyl 2,6-dimethylbenzenecarbodithioate
MOLECULAR FORMULA: C10H12S2
MOLECULAR WEIGHT: 196.33228
SMILES: CC1=C(C(=CC=C1)C)C(=S)SC
Structure:

CAS RN: 64148-48-7
CAS Name: 5-tert-butylbenzene-1,3-dicarbothioic acid S1,S3-diethyl ester
OPENEYE Name: S1,S3-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
IUPAC Name: 1-S,3-S-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
SYSTEMATIC NAME: S1,S3-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
MOLECULAR FORMULA: C16H22O2S2
MOLECULAR WEIGHT: 310.47468
SMILES: CCSC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(=O)SCC
Structure:

CAS RN: 62324-19-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48O3
MOLECULAR WEIGHT: 504.74312
SMILES: CC(C)CCCC(C)C1CC2C3(C1(CCC4C3=CCC5C4(CCC(C5)OC(=O)C6=CC=CC=C6)C)C)O2
Structure:

CAS RN: 88695-48-1
CAS Name: 2-[3-(4-methoxy-N-methylanilino)-2-oxopropyl]isoindole-1,3-dione
OPENEYE Name: 2-[3-(4-methoxy-N-methyl-anilino)-2-oxo-propyl]isoindoline-1,3-dione
IUPAC Name: 2-[3-(4-methoxy-N-methylanilino)-2-oxopropyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[3-[(4-methoxyphenyl)-methyl-amino]-2-oxidanylidene-propyl]isoindole-1,3-dione
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CN(CC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC
Structure:

CAS RN: 70539-58-1
CAS Name: 2-[[[4-[[(2,4-diamino-6-pteridinyl)methyl-methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]methyl]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-methylamino]methyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]methyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C25H32N8O5
MOLECULAR WEIGHT: 524.57218
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CN(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:

CAS RN: 68715-64-0
CAS Name: 2-amino-4-(hydroxymethyl)-1-cyclopentanol
OPENEYE Name: 2-amino-4-(hydroxymethyl)cyclopentanol
IUPAC Name: 2-amino-4-(hydroxymethyl)cyclopentan-1-ol
SYSTEMATIC NAME: 2-azanyl-4-(hydroxymethyl)cyclopentan-1-ol
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: C1C(CC(C1N)O)CO
Structure:

CAS RN: 62805-43-0
CAS Name: 4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(1S,2R,3S,4S)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O4
MOLECULAR WEIGHT: 241.2438
SMILES: C1[C@H]([C@@H]([C@@H]([C@H]1N2C=CC(=NC2=O)N)O)O)CO
Structure:

CAS RN: 74729-54-7
CAS Name: acetic acid [4,6-diacetyloxy-5-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-2-methyl-3-oxanyl] ester
OPENEYE Name: [4,6-diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methyl-tetrahydropyran-3-yl] acetate
IUPAC Name: [4,6-diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [4,6-diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-methyl-oxan-3-yl] ethanoate
MOLECULAR FORMULA: C15H22ClN3O9
MOLECULAR WEIGHT: 423.80288
SMILES: CC1C(C(C(C(O1)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C
Structure:

CAS RN: 88801-89-2
CAS Name: 3-[2-amino-6-(methylthio)-9-purinyl]-5-(hydroxymethyl)cyclopentane-1,2-diol
OPENEYE Name: 3-(2-amino-6-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
IUPAC Name: 3-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SYSTEMATIC NAME: 3-(2-azanyl-6-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C12H17N5O3S
MOLECULAR WEIGHT: 311.36008
SMILES: CSC1=NC(=NC2=C1N=CN2C3CC(C(C3O)O)CO)N
Structure:

CAS RN: 61948-41-2
CAS Name: 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5-(methoxycarbonylamino)-3-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 4-(2-benzyloxy-3,4-dimethoxy-phenyl)-5-(methoxycarbonylamino)-3-methyl-pyridine-2-carboxylic acid
IUPAC Name: 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5-(methoxycarbonylamino)-3-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-5-(methoxycarbonylamino)-3-methyl-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C24H24N2O7
MOLECULAR WEIGHT: 452.45656
SMILES: CC1=C(C(=CN=C1C(=O)O)NC(=O)OC)C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3
Structure:

CAS RN: 61948-40-1
CAS Name: N-[4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-6-formyl-5-methyl-3-pyridinyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[4-(2-benzyloxy-3,4-dimethoxy-phenyl)-6-formyl-5-methyl-3-pyridyl]carbamate
IUPAC Name: methyl N-[4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-6-formyl-5-methylpyridin-3-yl]carbamate
SYSTEMATIC NAME: methyl N-[4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-6-methanoyl-5-methyl-pyridin-3-yl]carbamate
MOLECULAR FORMULA: C24H24N2O6
MOLECULAR WEIGHT: 436.45716
SMILES: CC1=C(C(=CN=C1C=O)NC(=O)OC)C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3
Structure:

CAS RN: 64580-41-2
CAS Name: 4-(bromomethyl)-N-propan-2-ylbenzamide
OPENEYE Name: 4-(bromomethyl)-N-isopropyl-benzamide
IUPAC Name: 4-(bromomethyl)-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 4-(bromomethyl)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C11H14BrNO
MOLECULAR WEIGHT: 256.13896
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)CBr
Structure:

CAS RN: 70379-99-6
CAS Name: 4-[(methylcarbamoylamino)methyl]-N-propan-2-ylbenzamide
OPENEYE Name: N-isopropyl-4-[(methylcarbamoylamino)methyl]benzamide
IUPAC Name: 4-[(methylcarbamoylamino)methyl]-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 4-[(methylcarbamoylamino)methyl]-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)NC
Structure:

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