8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3-ethoxy-4-isobutoxy-phenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3-ethoxy-4-isobutoxy-phenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C24H34N4O5 MolecularWeight: 458.55056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC(C)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3CC(C)C)OCC(C)C

InChI

InChI=1S/C24H34N4O5/c1-7-32-19-12-17(8-9-18(19)33-14-16(4)5)21-25-22-20(27(21)10-11-31-6)23(29)26-24(30)28(22)13-15(2)3/h8-9,12,15-16H,7,10-11,13-14H2,1-6H3,(H,26,29,30)