N-butyl-2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-butyl-2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-butyl-2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-butyl-2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-butyl-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-butyl-2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)C

InChI

InChI=1S/C18H21N5O2/c1-3-4-9-19-16(24)11-22-12-20-17-15(18(22)25)10-21-23(17)14-7-5-13(2)6-8-14/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,24)