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

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C26H25N5O2 MolecularWeight: 439.509

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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=CC5=CC=CC=C54

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O2/c1-28(16-18-10-5-4-6-11-18)25-27-23-22(24(32)30(3)26(33)29(23)2)31(25)17-20-14-9-13-19-12-7-8-15-21(19)20/h4-15H,16-17H2,1-3H3