7-(2-methoxyethyl)-8-(4-phenylphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(4-phenylphenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(4-phenylphenyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(4-phenylphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-phenylphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(4-phenylphenyl)-3-propyl-xanthine Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3/c1-3-13-27-21-19(22(28)25-23(27)29)26(14-15-30-2)20(24-21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3,(H,25,28,29)