3-butyl-8-naphthalen-2-yl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-naphthalen-2-yl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-butyl-8-(2-naphthyl)purine-2,6-dione CAS Name: 3-butyl-8-(2-naphthalenyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butyl-8-naphthalen-2-ylpurine-2,6-dione Traditional Name: 7-benzyl-3-butyl-8-(2-naphthyl)xanthine Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2/c1-2-3-15-29-24-22(25(31)28-26(29)32)30(17-18-9-5-4-6-10-18)23(27-24)21-14-13-19-11-7-8-12-20(19)16-21/h4-14,16H,2-3,15,17H2,1H3,(H,28,31,32)