2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-(o-tolylmethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-[(2-methylphenyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(2-methylbenzyl)thio]pyrimidin-4-yl]amine Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H14N4S/c1-8-4-2-3-5-9(8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H4,13,14,15,16)