N,N-diethyl-4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[6-(allylamino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C17H22N6O4S MolecularWeight: 406.45938

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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)NCC=C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O4S/c1-4-11-18-16-15(23(24)25)17(20-12-19-16)21-13-7-9-14(10-8-13)28(26,27)22(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3,(H2,18,19,20,21)