4-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-3-keto-butyronitrile Formula: C13H13ClN6O3 MolecularWeight: 336.73372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN6O3/c1-6(16)7(4-15)8(21)5-20-9-10(17-12(20)14)18(2)13(23)19(3)11(9)22/h7,16H,5H2,1-3H3