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

Systemtic Name: 3-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-methoxyphenyl)purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-8-(4-methoxyphenyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-methoxyphenyl)purine-2,6-dione Traditional Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-methoxyphenyl)xanthine Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4/c1-29-13-12-25-20-18(21(27)24-22(25)28)26(14-15-6-4-3-5-7-15)19(23-20)16-8-10-17(30-2)11-9-16/h3-11H,12-14H2,1-2H3,(H,24,27,28)