2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-bromophenyl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C12H11BrN4OS MolecularWeight: 339.21094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=CC(=N2)N)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=CC(=N2)N)N)Br

InChI

InChI=1S/C12H11BrN4OS/c13-8-3-1-7(2-4-8)9(18)6-19-12-16-10(14)5-11(15)17-12/h1-5H,6H2,(H4,14,15,16,17)