4-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-[2-(1-cyclohexenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C22H30N6O4S MolecularWeight: 474.5764

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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)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O4S/c1-3-27(4-2)33(31,32)19-12-10-18(11-13-19)26-22-20(28(29)30)21(24-16-25-22)23-15-14-17-8-6-5-7-9-17/h8,10-13,16H,3-7,9,14-15H2,1-2H3,(H2,23,24,25,26)