4-(pyrimidin-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(pyrimidin-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(pyrimidin-2-ylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(2-pyrimidinylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(pyrimidin-2-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-pyrimidylthio)methyl]thiazole-2-carboxylic acid Formula: C9H7N3O2S2 MolecularWeight: 253.30078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C9H7N3O2S2/c13-8(14)7-12-6(4-15-7)5-16-9-10-2-1-3-11-9/h1-4H,5H2,(H,13,14)