3-(2-methylpropyl)-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione

Systemtic Name: 3-(2-methylpropyl)-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-isobutyl-1-(propoxymethyl)purine-2,6-dione CAS Name: 3-(2-methylpropyl)-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methylpropyl)-1-(propoxymethyl)purine-2,6-dione Traditional Name: 7-benzyl-3-isobutyl-1-(propoxymethyl)xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC(C)C

Isomeric SMILES

CCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC(C)C

InChI

InChI=1S/C20H26N4O3/c1-4-10-27-14-24-19(25)17-18(23(20(24)26)11-15(2)3)21-13-22(17)12-16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3