5-butyl-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-butyl-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-butyl-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-butyl-1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-butyl-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-butyl-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

Isomeric SMILES

CCCCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

InChI

InChI=1S/C16H18N4O/c1-3-4-9-19-11-17-15-13(16(19)21)10-18-20(15)14-8-6-5-7-12(14)2/h5-8,10-11H,3-4,9H2,1-2H3