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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(benzylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H23N5O2/c1-28-22-21(23(31)29(2)25(28)32)30(24(27-22)26-15-17-9-4-3-5-10-17)16-19-13-8-12-18-11-6-7-14-20(18)19/h3-14H,15-16H2,1-2H3,(H,26,27)