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

Systemtic Name: 2-[2-(4-chlorophenyl)-7-methyl-8-oxidanylidene-purin-9-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-(4-chlorophenyl)-7-methyl-8-oxo-purin-9-yl]-N-methyl-acetamide CAS Name: 2-[2-(4-chlorophenyl)-7-methyl-8-oxo-9-purinyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-(4-chlorophenyl)-7-methyl-8-oxopurin-9-yl]-N-methylacetamide Traditional Name: N-benzyl-2-[2-(4-chlorophenyl)-8-keto-7-methyl-purin-9-yl]-N-methyl-acetamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C(N=C2N(C1=O)CC(=O)N(C)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=CN=C(N=C2N(C1=O)CC(=O)N(C)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O2/c1-26(13-15-6-4-3-5-7-15)19(29)14-28-21-18(27(2)22(28)30)12-24-20(25-21)16-8-10-17(23)11-9-16/h3-12H,13-14H2,1-2H3