1,3,7-trimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-1,3,7-trimethyl-xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N5O2/c1-18(10-11-8-6-5-7-9-11)15-17-13-12(19(15)2)14(22)21(4)16(23)20(13)3/h5-9H,10H2,1-4H3