Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 4435-47-6
CAS Name: butane-1,1,3-tricarboxylic acid
OPENEYE Name: butane-1,1,3-tricarboxylic acid
IUPAC Name: butane-1,1,3-tricarboxylic acid
SYSTEMATIC NAME: butane-1,1,3-tricarboxylic acid
MOLECULAR FORMULA: C7H10O6
MOLECULAR WEIGHT: 190.1507
SMILES: CC(CC(C(=O)O)C(=O)O)C(=O)O
Structure:

CAS RN: 23944-47-0
CAS Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid
OPENEYE Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoic acid
IUPAC Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid
SYSTEMATIC NAME: 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: CC(C)C(C(C)O)(C(=O)O)O
Structure:

CAS RN: 13159-28-9
CAS Name: 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxaldehyde
OPENEYE Name: 9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
IUPAC Name: 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
SYSTEMATIC NAME: 5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
MOLECULAR FORMULA: C30H48O2
MOLECULAR WEIGHT: 440.70092
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C=O
Structure:

CAS RN: 52128-09-3
CAS Name: 6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
OPENEYE Name: 6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
IUPAC Name: 6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine
MOLECULAR FORMULA: C18H21N5O3
MOLECULAR WEIGHT: 355.39104
SMILES: COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)N=C(N=C3N)N
Structure:

CAS RN: 52128-19-5
CAS Name: 6-[[4-chloro-3-(trifluoromethyl)anilino]methyl]quinazoline-2,4-diamine
OPENEYE Name: 6-[[4-chloro-3-(trifluoromethyl)anilino]methyl]quinazoline-2,4-diamine
IUPAC Name: 6-[[4-chloro-3-(trifluoromethyl)anilino]methyl]quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]methyl]quinazoline-2,4-diamine
MOLECULAR FORMULA: C16H13ClF3N5
MOLECULAR WEIGHT: 367.75613
SMILES: C1=CC2=C(C=C1CNC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=NC(=N2)N)N
Structure:

CAS RN: 52128-31-1
CAS Name: 6-[(3-bromoanilino)methyl]-5-methylquinazoline-2,4-diamine
OPENEYE Name: 6-[(3-bromoanilino)methyl]-5-methyl-quinazoline-2,4-diamine
IUPAC Name: 6-[(3-bromoanilino)methyl]-5-methylquinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(3-bromophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine
MOLECULAR FORMULA: C16H16BrN5
MOLECULAR WEIGHT: 358.23574
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=CC=C3)Br
Structure:

CAS RN: 52128-17-3
CAS Name: 6-[(3-bromoanilino)methyl]quinazoline-2,4-diamine
OPENEYE Name: 6-[(3-bromoanilino)methyl]quinazoline-2,4-diamine
IUPAC Name: 6-[(3-bromoanilino)methyl]quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(3-bromophenyl)amino]methyl]quinazoline-2,4-diamine
MOLECULAR FORMULA: C15H14BrN5
MOLECULAR WEIGHT: 344.20916
SMILES: C1=CC(=CC(=C1)Br)NCC2=CC3=C(C=C2)N=C(N=C3N)N
Structure:

CAS RN: 52128-05-9
CAS Name: 6-[(4-chloroanilino)methyl]quinazoline-2,4-diamine
OPENEYE Name: 6-[(4-chloroanilino)methyl]quinazoline-2,4-diamine
IUPAC Name: 6-[(4-chloroanilino)methyl]quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(4-chlorophenyl)amino]methyl]quinazoline-2,4-diamine
MOLECULAR FORMULA: C15H14ClN5
MOLECULAR WEIGHT: 299.75816
SMILES: C1=CC(=CC=C1NCC2=CC3=C(C=C2)N=C(N=C3N)N)Cl
Structure:

CAS RN: 52128-38-8
CAS Name: N-[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
OPENEYE Name: N-[(2,4-diamino-5-methyl-quinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
IUPAC Name: N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
SYSTEMATIC NAME: N-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methyl]-N-(3,4-dichlorophenyl)nitrous amide
MOLECULAR FORMULA: C16H14Cl2N6O
MOLECULAR WEIGHT: 377.22796
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CN(C3=CC(=C(C=C3)Cl)Cl)N=O
Structure:

CAS RN: 52128-26-4
CAS Name: N-[(2,4-diamino-6-quinazolinyl)methyl]-N-(3,4-dichlorophenyl)acetamide
OPENEYE Name: N-[(2,4-diaminoquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)acetamide
IUPAC Name: N-[(2,4-diaminoquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)acetamide
SYSTEMATIC NAME: N-[[2,4-bis(azanyl)quinazolin-6-yl]methyl]-N-(3,4-dichlorophenyl)ethanamide
MOLECULAR FORMULA: C17H15Cl2N5O
MOLECULAR WEIGHT: 376.2399
SMILES: CC(=O)N(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC(=C(C=C3)Cl)Cl
Structure:

CAS RN: 69827-77-6
CAS Name: 6-[(3,4-dichloro-N-methylanilino)methyl]quinazoline-2,4-diamine
OPENEYE Name: 6-[(3,4-dichloro-N-methyl-anilino)methyl]quinazoline-2,4-diamine
IUPAC Name: 6-[(3,4-dichloro-N-methylanilino)methyl]quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(3,4-dichlorophenyl)-methyl-amino]methyl]quinazoline-2,4-diamine
MOLECULAR FORMULA: C16H15Cl2N5
MOLECULAR WEIGHT: 348.2298
SMILES: CN(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC(=C(C=C3)Cl)Cl
Structure:

CAS RN: 52128-21-9
CAS Name: N-[(2,4-diamino-6-quinazolinyl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
OPENEYE Name: N-[(2,4-diaminoquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
IUPAC Name: N-[(2,4-diaminoquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
SYSTEMATIC NAME: N-[[2,4-bis(azanyl)quinazolin-6-yl]methyl]-N-(3,4-dichlorophenyl)nitrous amide
MOLECULAR FORMULA: C15H12Cl2N6O
MOLECULAR WEIGHT: 363.20138
SMILES: C1=CC2=C(C=C1CN(C3=CC(=C(C=C3)Cl)Cl)N=O)C(=NC(=N2)N)N
Structure:

CAS RN: 52128-33-3
CAS Name: 6-[(3,4-dichloroanilino)methyl]-5-methylquinazoline-2,4-diamine
OPENEYE Name: 6-[(3,4-dichloroanilino)methyl]-5-methyl-quinazoline-2,4-diamine
IUPAC Name: 6-[(3,4-dichloroanilino)methyl]-5-methylquinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(3,4-dichlorophenyl)amino]methyl]-5-methyl-quinazoline-2,4-diamine
MOLECULAR FORMULA: C16H15Cl2N5
MOLECULAR WEIGHT: 348.2298
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C=C3)Cl)Cl
Structure:

CAS RN: 21160-83-8
CAS Name: 2,6-bis(phenylmethoxycarbonylamino)hexanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2,6-bis(benzyloxycarbonylamino)hexanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,6-bis(phenylmethoxycarbonylamino)hexanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2,6-bis(phenylmethoxycarbonylamino)hexanoate
MOLECULAR FORMULA: C26H29N3O8
MOLECULAR WEIGHT: 511.52376
SMILES: C1CC(=O)N(C1=O)OC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:

CAS RN: 944-26-3
CAS Name: 2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
OPENEYE Name: 2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
IUPAC Name: 2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
SYSTEMATIC NAME: 2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CC1(OCCO1)CCC2(OCCO2)C
Structure:

CAS RN: 54089-45-1
CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)methanimine
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-N-benzyl-methanimine
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-benzylmethanimine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)methanimine
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C1OC2=C(O1)C=C(C=C2)C=NCC3=CC=CC=C3
Structure:

CAS RN: 13263-58-6
CAS Name: benzoic acid; 4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol
OPENEYE Name: benzoic acid; 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,2-diol
IUPAC Name: benzoic acid; 4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: benzoic acid; 4-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C24H27NO6
MOLECULAR WEIGHT: 425.47428
SMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O.C1=CC=C(C=C1)C(=O)O
Structure:

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