8-(4-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-methoxyphenyl)-7-methyl-purine-2,6-dione CAS Name: 8-(4-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-methoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-methoxyphenyl)-7-methyl-xanthine Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3/c1-23-16-18(21-17(23)14-8-10-15(27-2)11-9-14)24(20(26)22-19(16)25)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,25,26)