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

Systemtic Name: 2-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-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-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C21H19N4O2S2- MolecularWeight: 423.53116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H20N4O2S2/c1-12-14(3)29-20(17(12)10-22)24-18(26)11-28-21-23-13(2)16(19(27)25-21)9-15-7-5-4-6-8-15/h4-8H,9,11H2,1-3H3,(H,24,26)(H,23,25,27)/p-1