2-[2-(4-chlorophenyl)-8-oxidanylidene-7H-purin-9-yl]-N-(4-methoxyphenyl)-N-methyl-ethanamide

Systemtic Name: 2-[2-(4-chlorophenyl)-8-oxidanylidene-7H-purin-9-yl]-N-(4-methoxyphenyl)-N-methyl-ethanamide Openeye Name: 2-[2-(4-chlorophenyl)-8-oxo-7H-purin-9-yl]-N-(4-methoxyphenyl)-N-methyl-acetamide CAS Name: 2-[2-(4-chlorophenyl)-8-oxo-7H-purin-9-yl]-N-(4-methoxyphenyl)-N-methylacetamide IUPAC Name: 2-[2-(4-chlorophenyl)-8-oxo-7H-purin-9-yl]-N-(4-methoxyphenyl)-N-methylacetamide Traditional Name: 2-[2-(4-chlorophenyl)-8-keto-7H-purin-9-yl]-N-(4-methoxyphenyl)-N-methyl-acetamide Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC)C(=O)CN2C3=NC(=NC=C3NC2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC)C(=O)CN2C3=NC(=NC=C3NC2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O3/c1-26(15-7-9-16(30-2)10-8-15)18(28)12-27-20-17(24-21(27)29)11-23-19(25-20)13-3-5-14(22)6-4-13/h3-11H,12H2,1-2H3,(H,24,29)