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

Systemtic Name: N,N-diethyl-4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C18H26N6O5S MolecularWeight: 438.50124

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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)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O5S/c1-4-23(5-2)30(27,28)15-9-7-14(8-10-15)22-18-16(24(25)26)17(20-13-21-18)19-11-6-12-29-3/h7-10,13H,4-6,11-12H2,1-3H3,(H2,19,20,21,22)