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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-bromanyl-4-nitro-phenyl)ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C12H11BrN6O3S MolecularWeight: 399.22314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H11BrN6O3S/c13-7-3-6(19(21)22)1-2-8(7)16-11(20)5-23-12-17-9(14)4-10(15)18-12/h1-4H,5H2,(H,16,20)(H4,14,15,17,18)