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

Systemtic Name: 5-(3-methylbutyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-isopentyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-methylbutyl)-1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(3-methylbutyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-isoamyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(C)C

InChI

InChI=1S/C17H20N4O/c1-12(2)8-9-20-11-18-16-15(17(20)22)10-19-21(16)14-6-4-13(3)5-7-14/h4-7,10-12H,8-9H2,1-3H3