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

Systemtic Name: N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenyl-ethanehydrazide Openeye Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide CAS Name: N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-2-phenylacetohydrazide IUPAC Name: N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide Traditional Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide 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)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-2-3-7-16-10-12-18(13-11-16)25-21-20(28(30)31)22(24-15-23-21)27-26-19(29)14-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,26,29)(H2,23,24,25,27)