2-[(3,4-dichlorophenyl)methyl]-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methyl]-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-9-(2-hydroxy-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 2-(3,4-dichlorobenzyl)-9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3H-purin-6-one Formula: C24H24Cl2N4O2 MolecularWeight: 471.37896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)Cl)Cl)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C24H24Cl2N4O2/c1-15(31)20(9-5-8-16-6-3-2-4-7-16)30-14-27-22-23(30)28-21(29-24(22)32)13-17-10-11-18(25)19(26)12-17/h2-4,6-7,10-12,14-15,20,31H,5,8-9,13H2,1H3,(H,28,29,32)