3-(2-methoxyphenyl)-7-(1-phenylethyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-methoxyphenyl)-7-(1-phenylethyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione CAS Name: 3-(2-methoxyphenyl)-7-(1-phenylethyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 1-benzyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)xanthine Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-19(21-13-7-4-8-14-21)30-18-28-25-24(30)26(32)29(17-20-11-5-3-6-12-20)27(33)31(25)22-15-9-10-16-23(22)34-2/h3-16,18-19H,17H2,1-2H3