7-methyl-8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-methyl-8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-benzyloxyphenyl)-7-methyl-purine-2,6-dione CAS Name: 7-methyl-8-(3-phenylmethoxyphenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-(3-phenylmethoxyphenyl)purine-2,6-dione Traditional Name: 8-(3-benzoxyphenyl)-3-benzyl-7-methyl-xanthine Formula: C26H22N4O3 MolecularWeight: 438.47788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(N=C1C3=CC(=CC=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c1-29-22-24(30(26(32)28-25(22)31)16-18-9-4-2-5-10-18)27-23(29)20-13-8-14-21(15-20)33-17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,28,31,32)