3-methyl-8-(phenylazanylmethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(phenylazanylmethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(anilinomethyl)-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 8-(anilinomethyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(anilinomethyl)-7-benzyl-3-methylpurine-2,6-dione Traditional Name: 8-(anilinomethyl)-7-benzyl-3-methyl-xanthine Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2/c1-24-18-17(19(26)23-20(24)27)25(13-14-8-4-2-5-9-14)16(22-18)12-21-15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3,(H,23,26,27)