N-[[2-chloranyl-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide

Systemtic Name: N-[[2-chloranyl-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide Openeye Name: N-[[2-chloro-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide CAS Name: N-[[2-chloro-5-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]phenyl]methyl]methanesulfonamide IUPAC Name: N-[[2-chloro-5-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide Traditional Name: N-[2-chloro-5-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzyl]methanesulfonamide Formula: C13H15ClN6O4S MolecularWeight: 386.814

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)CNS(=O)(=O)C

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)CNS(=O)(=O)C

InChI

InChI=1S/C13H15ClN6O4S/c1-15-12-11(20(21)22)7-16-13(19-12)18-9-3-4-10(14)8(5-9)6-17-25(2,23)24/h3-5,7,17H,6H2,1-2H3,(H2,15,16,18,19)