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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 7-benzyl-8-(benzylamino)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 7-benzyl-8-(benzylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(benzylamino)-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)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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