2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C12H11BrClN5OS MolecularWeight: 388.67064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H11BrClN5OS/c13-6-1-2-8(7(14)3-6)17-11(20)5-21-12-18-9(15)4-10(16)19-12/h1-4H,5H2,(H,17,20)(H4,15,16,18,19)