3-methyl-8-[methyl-(phenylmethyl)amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[benzyl(methyl)amino]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[benzyl(methyl)amino]-3-methyl-xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2/c1-24(13-15-9-5-3-6-10-15)20-22-18-17(19(27)23-21(28)25(18)2)26(20)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,23,27,28)