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

Systemtic Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27N5O2/c1-29(16-19-10-5-4-6-11-19)18-23-28-25-24(26(33)31(3)27(34)30(25)2)32(23)17-21-14-9-13-20-12-7-8-15-22(20)21/h4-15H,16-18H2,1-3H3