7-(2-methoxyethyl)-3-(phenylmethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(phenylmethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(phenylmethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-8-(3,4,5-trimethoxyphenyl)xanthine Formula: C24H26N4O6 MolecularWeight: 466.48644

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O6/c1-31-11-10-27-19-22(28(24(30)26-23(19)29)14-15-8-6-5-7-9-15)25-21(27)16-12-17(32-2)20(34-4)18(13-16)33-3/h5-9,12-13H,10-11,14H2,1-4H3,(H,26,29,30)