9-(2-oxidanyl-6-phenyl-hexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(2-oxidanyl-6-phenyl-hexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(2-hydroxy-6-phenylhexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(2-hydroxy-6-phenylhexan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C26H30N4O3/c1-3-16-33-22-15-8-7-13-20(22)24-28-25-23(26(32)29-24)27-17-30(25)21(18(2)31)14-9-12-19-10-5-4-6-11-19/h4-8,10-11,13,15,17-18,21,31H,3,9,12,14,16H2,1-2H3,(H,28,29,32)