[4-(2-methylphenyl)-2-methylsulfanyl-pyrimidin-5-yl]carbamic acid

Systemtic Name: [4-(2-methylphenyl)-2-methylsulfanyl-pyrimidin-5-yl]carbamic acid Openeye Name: [2-methylsulfanyl-4-(o-tolyl)pyrimidin-5-yl]carbamic acid CAS Name: [4-(2-methylphenyl)-2-(methylthio)-5-pyrimidinyl]carbamic acid IUPAC Name: [4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-yl]carbamic acid Traditional Name: [2-(methylthio)-4-(o-tolyl)pyrimidin-5-yl]carbamic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NC=C2NC(=O)O)SC

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NC=C2NC(=O)O)SC

InChI

InChI=1S/C13H13N3O2S/c1-8-5-3-4-6-9(8)11-10(15-13(17)18)7-14-12(16-11)19-2/h3-7,15H,1-2H3,(H,17,18)