N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N6O4S/c1-14-6-8-17(9-7-14)31(29,30)24-23-19-18(26(27)28)20(22-13-21-19)25-11-10-15-4-2-3-5-16(15)12-25/h2-9,13,24H,10-12H2,1H3,(H,21,22,23)