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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetonitrile IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetonitrile Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,4H2,1-2H3