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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C13H14N6O3S MolecularWeight: 334.35366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H14N6O3S/c1-7-3-2-4-8(19(21)22)12(7)18-11(20)6-23-13-16-9(14)5-10(15)17-13/h2-5H,6H2,1H3,(H,18,20)(H4,14,15,16,17)