N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]propyl]-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[3-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]propyl]-3,5-dinitro-benzenesulfonamide Openeye Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]propyl]-3,5-dinitro-benzenesulfonamide CAS Name: N-[3-[(5-bromo-2-chloro-4-pyrimidinyl)amino]propyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]-3,5-dinitrobenzenesulfonamide Traditional Name: N-[3-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]propyl]-3,5-dinitro-benzenesulfonamide Formula: C13H12BrClN6O6S MolecularWeight: 495.69298

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCNC2=NC(=NC=C2Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrClN6O6S/c14-11-7-17-13(15)19-12(11)16-2-1-3-18-28(26,27)10-5-8(20(22)23)4-9(6-10)21(24)25/h4-7,18H,1-3H2,(H,16,17,19)