4-[2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[(6-amino-5-nitro-4-pyrimidinyl)amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide Formula: C12H14N6O4S MolecularWeight: 338.34236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC=NC(=C2[N+](=O)[O-])N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC=NC(=C2[N+](=O)[O-])N)S(=O)(=O)N

InChI

InChI=1S/C12H14N6O4S/c13-11-10(18(19)20)12(17-7-16-11)15-6-5-8-1-3-9(4-2-8)23(14,21)22/h1-4,7H,5-6H2,(H2,14,21,22)(H3,13,15,16,17)