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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=NC(=C2)N)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=NC(=C2)N)N)Br

InChI

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