N,N-diethyl-4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H31N7O5S MolecularWeight: 493.57974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N7O5S/c1-3-27(4-2)34(31,32)18-8-6-17(7-9-18)25-21-19(28(29)30)20(23-16-24-21)22-10-5-11-26-12-14-33-15-13-26/h6-9,16H,3-5,10-15H2,1-2H3,(H2,22,23,24,25)