4-[[1-[(2S)-butan-2-yl]-6-methyl-pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[1-[(2S)-butan-2-yl]-6-methyl-pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-methyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(2S)-butan-2-yl]-6-methyl-3-pyrazolo[3,4-b]quinolinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[1-[(2S)-butan-2-yl]-6-methylpyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[6-methyl-1-[(1S)-1-methylpropyl]pyrazolo[3,4-b]quinolin-3-yl]amino]butyrate Formula: C19H21N4O3- MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)N1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-4-12(3)23-19-14(10-13-9-11(2)5-6-15(13)20-19)18(22-23)21-16(24)7-8-17(25)26/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,25,26)(H,21,22,24)/p-1/t12-/m0/s1