7-butyl-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 7-butyl-3-(phenylmethyl)-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-(4-phenylphenyl)xanthine Formula: C28H26N4O2 MolecularWeight: 450.53164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2/c1-2-3-18-31-24-26(32(28(34)30-27(24)33)19-20-10-6-4-7-11-20)29-25(31)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17H,2-3,18-19H2,1H3,(H,30,33,34)