potassium 5-cyano-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-4-olate

Systemtic Name: potassium 5-cyano-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-4-olate Openeye Name: potassium 5-cyano-2-thioxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidin-4-olate CAS Name: potassium 5-cyano-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-4-olate IUPAC Name: potassium 5-cyano-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-4-olate Traditional Name: potassium 5-cyano-2-thioxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidin-4-olate Formula: C14H16KN3O4S MolecularWeight: 361.45784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(NC(=S)N2)[O-])C#N.[K+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(C(NC(=S)N2)[O-])C#N.[K+]

InChI

InChI=1S/C14H16N3O4S.K/c1-19-9-4-7(5-10(20-2)12(9)21-3)11-8(6-15)13(18)17-14(22)16-11;/h4-5,8,11,13H,1-3H3,(H2,16,17,22);/q-1;+1