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

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(3,4,5-trimethoxyphenyl)xanthine Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)CCOC

InChI

InChI=1S/C21H28N4O6/c1-12(2)11-25-19-16(20(26)23-21(25)27)24(7-8-28-3)18(22-19)13-9-14(29-4)17(31-6)15(10-13)30-5/h9-10,12H,7-8,11H2,1-6H3,(H,23,26,27)