2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine Openeye Name: 2-(m-tolylmethylsulfanyl)pyrimidin-4-amine CAS Name: 2-[(3-methylphenyl)methylthio]-4-pyrimidinamine IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine Traditional Name: [2-[(3-methylbenzyl)thio]pyrimidin-4-yl]amine Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=CC(=N2)N

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=CC(=N2)N

InChI

InChI=1S/C12H13N3S/c1-9-3-2-4-10(7-9)8-16-12-14-6-5-11(13)15-12/h2-7H,8H2,1H3,(H2,13,14,15)