4-methyl-N'-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]benzenesulfonohydrazide

Systemtic Name: 4-methyl-N'-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]benzenesulfonohydrazide Openeye Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: 4-methyl-N'-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]benzenesulfonohydrazide IUPAC Name: N'-[6-(benzylamino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C18H18N6O4S MolecularWeight: 414.43832

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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-])NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N6O4S/c1-13-7-9-15(10-8-13)29(27,28)23-22-18-16(24(25)26)17(20-12-21-18)19-11-14-5-3-2-4-6-14/h2-10,12,23H,11H2,1H3,(H2,19,20,21,22)