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

Systemtic Name: 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]benzenesulfonamide CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-nitroanilino]methyl]benzenesulfonamide IUPAC Name: 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-nitroanilino]methyl]benzenesulfonamide Traditional Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]benzenesulfonamide Formula: C19H21N7O4S MolecularWeight: 443.47954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O4S/c1-2-14-17(18(20)25-19(21)24-14)12-5-8-15(16(9-12)26(27)28)23-10-11-3-6-13(7-4-11)31(22,29)30/h3-9,23H,2,10H2,1H3,(H2,22,29,30)(H4,20,21,24,25)