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

Systemtic Name: N-(2-cyanoethyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(2-cyanoethyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C12H14N6O3 MolecularWeight: 290.27796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCC#N

InChI

InChI=1S/C12H14N6O3/c1-16-10-9(11(20)17(2)12(16)21)18(7-15-10)6-8(19)14-5-3-4-13/h7H,3,5-6H2,1-2H3,(H,14,19)