4-[[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxo-butanoate CAS Name: 4-[[7-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)amino]-4-keto-butyrate Formula: C19H21N4O3- MolecularWeight: 353.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-11(2)10-23-19-14(9-13-5-4-12(3)8-15(13)20-19)18(22-23)21-16(24)6-7-17(25)26/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,25,26)(H,21,22,24)/p-1