7-ethyl-1-[2-(4-methylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-(4-methylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(4-methylphenoxy)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-(4-methylphenoxy)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-(4-methylphenoxy)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-(4-methylphenoxy)ethyl]xanthine Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)C

InChI

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