methyl N-[5-(2-methylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate

Systemtic Name: methyl N-[5-(2-methylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Openeye Name: methyl N-[5-(2-methylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate CAS Name: N-[5-[2-(methylthio)phenyl]-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(2-methylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Traditional Name: N-[5-[2-(methylthio)phenyl]-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NCC(CN1)C2=CC=CC=C2SC

Isomeric SMILES

COC(=O)NC1=NCC(CN1)C2=CC=CC=C2SC

InChI

InChI=1S/C13H17N3O2S/c1-18-13(17)16-12-14-7-9(8-15-12)10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16,17)