2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=N1)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=N1)[O-]

InChI

InChI=1S/C14H14N4O2S/c1-18(8-4-7-15)12(19)9-21-14-16-11-6-3-2-5-10(11)13(20)17-14/h2-3,5-6H,4,8-9H2,1H3,(H,16,17,20)/p-1