4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzenesulfonamide Formula: C17H17N7O4S MolecularWeight: 415.42638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C17H17N7O4S/c18-29(27,28)14-4-1-12(2-5-14)15-7-8-20-17(23-15)21-10-9-19-16-6-3-13(11-22-16)24(25)26/h1-8,11H,9-10H2,(H,19,22)(H2,18,27,28)(H,20,21,23)