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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O3/c1-3-4-5-16-8-12-18(13-9-16)25-20-19(28(30)31)21(24-14-23-20)26-27-22(29)17-10-6-15(2)7-11-17/h6-14H,3-5H2,1-2H3,(H,27,29)(H2,23,24,25,26)