4-(1,4-dihydropyrimidin-2-ylsulfanylmethyl)benzoic acid

Systemtic Name: 4-(1,4-dihydropyrimidin-2-ylsulfanylmethyl)benzoic acid Openeye Name: 4-(1,4-dihydropyrimidin-2-ylsulfanylmethyl)benzoic acid CAS Name: 4-[(1,4-dihydropyrimidin-2-ylthio)methyl]benzoic acid IUPAC Name: 4-(1,4-dihydropyrimidin-2-ylsulfanylmethyl)benzoic acid Traditional Name: 4-[(1,4-dihydropyrimidin-2-ylthio)methyl]benzoic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CNC(=N1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C=CNC(=N1)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c15-11(16)10-4-2-9(3-5-10)8-17-12-13-6-1-7-14-12/h1-6H,7-8H2,(H,13,14)(H,15,16)