7-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-benzyloxy-3-methoxy-phenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-benzoxy-3-methoxy-phenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C26H30N4O5 MolecularWeight: 478.5402

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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)OCC4=CC=CC=C4)OC)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)CCOC

InChI

InChI=1S/C26H30N4O5/c1-17(2)15-30-24-22(25(31)28-26(30)32)29(12-13-33-3)23(27-24)19-10-11-20(21(14-19)34-4)35-16-18-8-6-5-7-9-18/h5-11,14,17H,12-13,15-16H2,1-4H3,(H,28,31,32)