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

Systemtic Name: N-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butyl]methanesulfonamide Openeye Name: N-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl]methanesulfonamide CAS Name: N-[4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]butyl]methanesulfonamide IUPAC Name: N-[4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]butyl]methanesulfonamide Traditional Name: N-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl]methanesulfonamide Formula: C15H19ClN6O4S MolecularWeight: 414.86716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)NCCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN6O4S/c1-27(25,26)19-9-3-2-8-17-14-13(22(23)24)10-18-15(21-14)20-12-6-4-11(16)5-7-12/h4-7,10,19H,2-3,8-9H2,1H3,(H2,17,18,20,21)