9-(2-oxidanyl-8-phenyl-octan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(2-oxidanyl-8-phenyl-octan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-[1-(1-hydroxyethyl)-6-phenyl-hexyl]-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(2-hydroxy-8-phenyloctan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(2-hydroxy-8-phenyloctan-3-yl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-hydroxyethyl)-6-phenyl-hexyl]-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C28H34N4O3/c1-3-18-35-24-17-11-10-15-22(24)26-30-27-25(28(34)31-26)29-19-32(27)23(20(2)33)16-9-5-8-14-21-12-6-4-7-13-21/h4,6-7,10-13,15,17,19-20,23,33H,3,5,8-9,14,16,18H2,1-2H3,(H,30,31,34)