3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]-N-methyl-benzenesulfonamide

Systemtic Name: 3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]-N-methyl-benzenesulfonamide Openeye Name: 3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]-N-methyl-benzenesulfonamide CAS Name: 3-[[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]amino]methyl]-N-methylbenzenesulfonamide IUPAC Name: 3-[[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]methyl]-N-methylbenzenesulfonamide Traditional Name: 3-[[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]methyl]-N-methyl-benzenesulfonamide Formula: C15H18N6O4S MolecularWeight: 378.40622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)CNC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)CNC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4S/c1-16-26(24,25)12-4-2-3-10(7-12)8-17-15-18-9-13(21(22)23)14(20-15)19-11-5-6-11/h2-4,7,9,11,16H,5-6,8H2,1H3,(H2,17,18,19,20)