N-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-methyl-2-methylsulfanyl-5-[2-(o-tolyl)-2-oxo-ethyl]pyrimidine-4-carboxamide CAS Name: N-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-[2-keto-2-(o-tolyl)ethyl]-N-methyl-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CC2=CN=C(N=C2C(=O)NC)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)CC2=CN=C(N=C2C(=O)NC)SC

InChI

InChI=1S/C16H17N3O2S/c1-10-6-4-5-7-12(10)13(20)8-11-9-18-16(22-3)19-14(11)15(21)17-2/h4-7,9H,8H2,1-3H3,(H,17,21)