N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide

Systemtic Name: N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Openeye Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide CAS Name: N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-2-methylbenzohydrazide IUPAC Name: N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide Traditional Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-2-methyl-benzohydrazide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-3-4-8-16-10-12-17(13-11-16)25-20-19(28(30)31)21(24-14-23-20)26-27-22(29)18-9-6-5-7-15(18)2/h5-7,9-14H,3-4,8H2,1-2H3,(H,27,29)(H2,23,24,25,26)