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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-pentan-2-yl-ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(1-methylbutyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-pentan-2-ylacetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(1-methylbutyl)acetamide Formula: C14H20ClN5O3 MolecularWeight: 341.7933

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCC(C)NC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H20ClN5O3/c1-5-6-8(2)16-9(21)7-20-10-11(17-13(20)15)18(3)14(23)19(4)12(10)22/h8H,5-7H2,1-4H3,(H,16,21)