2-(4-chlorophenyl)-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-(4-chlorophenyl)-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 2-(4-chlorophenyl)-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one CAS Name: 2-(4-chlorophenyl)-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-(4-chlorophenyl)-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 2-(4-chlorophenyl)-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H23ClN4O2/c1-15(29)19(9-5-8-16-6-3-2-4-7-16)28-14-25-20-22(28)26-21(27-23(20)30)17-10-12-18(24)13-11-17/h2-4,6-7,10-15,19,29H,5,8-9H2,1H3,(H,26,27,30)