2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C13H15ClN6O3 MolecularWeight: 338.7496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C)CCC#N

InChI

InChI=1S/C13H15ClN6O3/c1-17(6-4-5-15)8(21)7-20-9-10(16-12(20)14)18(2)13(23)19(3)11(9)22/h4,6-7H2,1-3H3