2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanenitrile

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanenitrile Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetonitrile CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-9-purinyl)acetonitrile IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-9-yl)acetonitrile Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-9-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(N2CC#N)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC#N)Cl

InChI

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