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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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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)C3(CCCCC3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C17H21ClN6O3/c1-21-13-12(14(26)22(2)16(21)27)24(15(18)20-13)9-11(25)23(3)17(10-19)7-5-4-6-8-17/h4-9H2,1-3H3