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

Systemtic Name: 2-[8-(cyanomethylsulfanyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-[8-(cyanomethylsulfanyl)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetonitrile CAS Name: 2-[8-(cyanomethylthio)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetonitrile IUPAC Name: 2-[8-(cyanomethylsulfanyl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetonitrile Traditional Name: 2-[8-(cyanomethylthio)-2,6-diketo-1,3-dimethyl-purin-7-yl]acetonitrile Formula: C11H10N6O2S MolecularWeight: 290.3011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N6O2S/c1-15-8-7(9(18)16(2)11(15)19)17(5-3-12)10(14-8)20-6-4-13/h5-6H2,1-2H3