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

Systemtic Name: 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanenitrile Openeye Name: 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylacetonitrile CAS Name: 2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetonitrile IUPAC Name: 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetonitrile Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H11N5O2S/c1-13-6-7(12-9(13)18-5-4-11)14(2)10(17)15(3)8(6)16/h5H2,1-3H3