methyl 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzoate CAS Name: 3-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzoate Traditional Name: 3-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]benzoic acid methyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NCCCN2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NCCCN2

InChI

InChI=1S/C13H16N2O2S/c1-17-12(16)11-5-2-4-10(8-11)9-18-13-14-6-3-7-15-13/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)