2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C13H14N6O3S MolecularWeight: 334.35366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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