2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-9-ium-7-yl]ethanenitrile

Systemtic Name: 2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-9-ium-7-yl]ethanenitrile Openeye Name: 2-(1,3,9-trimethyl-2,6-dioxo-purin-9-ium-7-yl)acetonitrile CAS Name: 2-(1,3,9-trimethyl-2,6-dioxo-7-purin-9-iumyl)acetonitrile IUPAC Name: 2-(1,3,9-trimethyl-2,6-dioxopurin-9-ium-7-yl)acetonitrile Traditional Name: 2-(2,6-diketo-1,3,9-trimethyl-purin-9-ium-7-yl)acetonitrile Formula: C10H12N5O2+ MolecularWeight: 234.23458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=[N+]2C)CC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=[N+]2C)CC#N

InChI

InChI=1S/C10H12N5O2/c1-12-6-15(5-4-11)7-8(12)13(2)10(17)14(3)9(7)16/h6H,5H2,1-3H3/q+1