2-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13N4O2S2- MolecularWeight: 333.40862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C)C)C#N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C)C)C#N)[O-]

InChI

InChI=1S/C14H14N4O2S2/c1-7-4-11(19)18-14(16-7)21-6-12(20)17-13-10(5-15)8(2)9(3)22-13/h4H,6H2,1-3H3,(H,17,20)(H,16,18,19)/p-1