1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(4-methylbenzyl)amino]xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H23N5O2/c1-15-9-11-16(12-10-15)13-23-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)14-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,23,24)