3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-isobutyl-purine-2,6-dione CAS Name: 3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-3-isobutyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-11(2)8-20-14-13(15(21)18-16(20)22)19(10-17-14)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21,22)