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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetonitrile IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetonitrile Formula: C9H8ClN5O2 MolecularWeight: 253.64512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClN5O2/c1-13-6-5(7(16)14(2)9(13)17)15(4-3-11)8(10)12-6/h4H2,1-2H3