N-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]methanesulfonamide

Systemtic Name: N-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]methanesulfonamide Openeye Name: N-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]methanesulfonamide CAS Name: N-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]ethyl]methanesulfonamide IUPAC Name: N-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethyl]methanesulfonamide Traditional Name: N-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]methanesulfonamide Formula: C13H15ClN6O4S MolecularWeight: 386.814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)NCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN6O4S/c1-25(23,24)17-7-6-15-12-11(20(21)22)8-16-13(19-12)18-10-4-2-9(14)3-5-10/h2-5,8,17H,6-7H2,1H3,(H2,15,16,18,19)