7-(2-methoxyethyl)-8-(3-phenylmethoxyphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(3-phenylmethoxyphenyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-benzyloxyphenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(3-phenylmethoxyphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(3-phenylmethoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-benzoxyphenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)CCOC

InChI

InChI=1S/C24H26N4O4/c1-3-12-28-22-20(23(29)26-24(28)30)27(13-14-31-2)21(25-22)18-10-7-11-19(15-18)32-16-17-8-5-4-6-9-17/h4-11,15H,3,12-14,16H2,1-2H3,(H,26,29,30)