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

Systemtic Name: 2-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C15H13N4O2S- MolecularWeight: 313.35432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C15H14N4O2S/c16-8-4-10-19(12-5-2-1-3-6-12)14(21)11-22-15-17-9-7-13(20)18-15/h1-3,5-7,9H,4,10-11H2,(H,17,18,20)/p-1