2-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-cyanoanilino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-cyanoanilino)-2-oxoethyl]thio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[[2-(2-cyanoanilino)-2-keto-ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C15H13N4O2S- MolecularWeight: 313.35432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C15H14N4O2S/c1-9-10(2)17-15(19-14(9)21)22-8-13(20)18-12-6-4-3-5-11(12)7-16/h3-6H,8H2,1-2H3,(H,18,20)(H,17,19,21)/p-1