potassium 6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: potassium 6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylate Openeye Name: potassium 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: potassium 6-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carboxylate IUPAC Name: potassium 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: potassium 2-(benzylthio)-6-keto-1H-pyrimidine-5-carboxylate Formula: C12H9KN2O3S MolecularWeight: 300.37476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)C(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=O)N2)C(=O)[O-].[K+]

InChI

InChI=1S/C12H10N2O3S.K/c15-10-9(11(16)17)6-13-12(14-10)18-7-8-4-2-1-3-5-8;/h1-6H,7H2,(H,16,17)(H,13,14,15);/q;+1/p-1