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

Systemtic Name: 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C14H18N6O4S/c1-3-19(4-2)25(23,24)11-7-5-10(6-8-11)18-14-12(20(21)22)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H3,15,16,17,18)