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

Systemtic Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(6-ethoxy-5-nitro-4-pyrimidinyl)amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(6-ethoxy-5-nitropyrimidin-4-yl)amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(6-ethoxy-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide Formula: C16H21N5O5S MolecularWeight: 395.43344

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5S/c1-4-20(5-2)27(24,25)13-9-7-12(8-10-13)19-15-14(21(22)23)16(26-6-3)18-11-17-15/h7-11H,4-6H2,1-3H3,(H,17,18,19)