2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[2-(3-methylphenoxy)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-(3-methylphenoxy)ethylthio]pyrimidin-4-yl]amine Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H16N4OS/c1-9-3-2-4-10(7-9)18-5-6-19-13-16-11(14)8-12(15)17-13/h2-4,7-8H,5-6H2,1H3,(H4,14,15,16,17)