2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-chloranyl-pyrimidine-4-carboxylate

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-5-chloro-4-pyrimidinecarboxylate IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-5-chloro-pyrimidine-4-carboxylate Formula: C7H5ClN3O3S- MolecularWeight: 246.6509

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)SCC(=O)N)C(=O)[O-])Cl

Isomeric SMILES

C1=C(C(=NC(=N1)SCC(=O)N)C(=O)[O-])Cl

InChI

InChI=1S/C7H6ClN3O3S/c8-3-1-10-7(15-2-4(9)12)11-5(3)6(13)14/h1H,2H2,(H2,9,12)(H,13,14)/p-1