9-(1-oxidanyl-5-phenyl-pentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(1-oxidanyl-5-phenyl-pentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(2-hydroxyethyl)-3-phenyl-propyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(1-hydroxy-5-phenylpentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(1-hydroxy-5-phenylpentan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(2-hydroxyethyl)-3-phenyl-propyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCC4=CC=CC=C4)CCO

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCC4=CC=CC=C4)CCO

InChI

InChI=1S/C25H28N4O3/c1-2-16-32-21-11-7-6-10-20(21)23-27-24-22(25(31)28-23)26-17-29(24)19(14-15-30)13-12-18-8-4-3-5-9-18/h3-11,17,19,30H,2,12-16H2,1H3,(H,27,28,31)