N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C18H17ClN6O4S MolecularWeight: 448.88338

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O4S/c1-12-2-8-15(9-3-12)30(28,29)24-23-18-16(25(26)27)17(21-11-22-18)20-10-13-4-6-14(19)7-5-13/h2-9,11,24H,10H2,1H3,(H2,20,21,22,23)