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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(1-cyano-1-cyclopropyl-ethyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(1-cyano-1-cyclopropylethyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(1-cyano-1-cyclopropyl-ethyl)acetamide Formula: C15H17ClN6O3 MolecularWeight: 364.78688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C15H17ClN6O3/c1-15(7-17,8-4-5-8)19-9(23)6-22-10-11(18-13(22)16)20(2)14(25)21(3)12(10)24/h8H,4-6H2,1-3H3,(H,19,23)