N-[3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propyl]methanesulfonamide

Systemtic Name: N-[3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propyl]methanesulfonamide Openeye Name: N-[3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl]methanesulfonamide CAS Name: N-[3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]propyl]methanesulfonamide IUPAC Name: N-[3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]propyl]methanesulfonamide Traditional Name: N-[3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]propyl]methanesulfonamide Formula: C14H17ClN6O4S MolecularWeight: 400.84058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)NCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN6O4S/c1-26(24,25)18-8-2-7-16-13-12(21(22)23)9-17-14(20-13)19-11-5-3-10(15)4-6-11/h3-6,9,18H,2,7-8H2,1H3,(H2,16,17,19,20)