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

Systemtic Name: 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanenitrile Openeye Name: 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetonitrile CAS Name: 2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)acetonitrile IUPAC Name: 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetonitrile Traditional Name: 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)acetonitrile Formula: C10H11N5O2 MolecularWeight: 233.22664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC#N

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC#N

InChI

InChI=1S/C10H11N5O2/c1-13-6(4-5-11)12-8-7(13)9(16)15(3)10(17)14(8)2/h4H2,1-3H3