3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-quinolin-8-ylethyl)propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-quinolin-8-ylethyl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(8-quinolyl)ethyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(8-quinolinyl)ethyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-quinolin-8-ylethyl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(8-quinolyl)ethyl]propionamide Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H20N6O2/c1-25-19-16(12-24-25)20(28)26(13-23-19)11-8-17(27)21-10-7-15-5-2-4-14-6-3-9-22-18(14)15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,27)