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

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[benzyl(methyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[benzyl(methyl)amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[benzyl(methyl)amino]-1,3-dimethyl-xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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