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

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[2-(3-bromophenoxy)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[2-(3-bromophenoxy)ethylthio]pyrimidin-4-yl]amine Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4OS/c13-8-2-1-3-9(6-8)18-4-5-19-12-16-10(14)7-11(15)17-12/h1-3,6-7H,4-5H2,(H4,14,15,16,17)