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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C14H17ClN6O3 MolecularWeight: 352.77618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H17ClN6O3/c1-14(2,7-16)20(5)8(22)6-21-9-10(17-12(21)15)18(3)13(24)19(4)11(9)23/h6H2,1-5H3