2-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[bis(2-cyanoethyl)amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C12H12N5O2S- MolecularWeight: 290.32098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CN=C(N=C1[O-])SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C12H13N5O2S/c13-4-1-7-17(8-2-5-14)11(19)9-20-12-15-6-3-10(18)16-12/h3,6H,1-2,7-9H2,(H,15,16,18)/p-1