2-methyl-1-(2-methylpropyl)-7-phenyl-purin-6-one

Systemtic Name: 2-methyl-1-(2-methylpropyl)-7-phenyl-purin-6-one Openeye Name: 1-isobutyl-2-methyl-7-phenyl-purin-6-one CAS Name: 2-methyl-1-(2-methylpropyl)-7-phenyl-6-purinone IUPAC Name: 2-methyl-1-(2-methylpropyl)-7-phenylpurin-6-one Traditional Name: 1-isobutyl-2-methyl-7-phenyl-purin-6-one Formula: C16H18N4O MolecularWeight: 282.34032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1CC(C)C)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=O)N1CC(C)C)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O/c1-11(2)9-19-12(3)18-15-14(16(19)21)20(10-17-15)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3