tert-butyl N-[4-(2-methylphenyl)-2-methylsulfanyl-pyrimidin-5-yl]carbamate

Systemtic Name: tert-butyl N-[4-(2-methylphenyl)-2-methylsulfanyl-pyrimidin-5-yl]carbamate Openeye Name: tert-butyl N-[2-methylsulfanyl-4-(o-tolyl)pyrimidin-5-yl]carbamate CAS Name: N-[4-(2-methylphenyl)-2-(methylthio)-5-pyrimidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-yl]carbamate Traditional Name: N-[2-(methylthio)-4-(o-tolyl)pyrimidin-5-yl]carbamic acid tert-butyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-11-8-6-7-9-12(11)14-13(10-18-15(20-14)23-5)19-16(21)22-17(2,3)4/h6-10H,1-5H3,(H,19,21)