2-[2-(4-bromophenyl)sulfonylethylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(2-brosylethylthio)pyrimidin-4-yl]amine Formula: C12H13BrN4O2S2 MolecularWeight: 389.29122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCSC2=NC(=CC(=N2)N)N)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCSC2=NC(=CC(=N2)N)N)Br

InChI

InChI=1S/C12H13BrN4O2S2/c13-8-1-3-9(4-2-8)21(18,19)6-5-20-12-16-10(14)7-11(15)17-12/h1-4,7H,5-6H2,(H4,14,15,16,17)