1-[3-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c1-3-4-6-16-9-11-18(12-10-16)25-21-20(27(29)30)22(24-14-23-21)26-19-8-5-7-17(13-19)15(2)28/h5,7-14H,3-4,6H2,1-2H3,(H2,23,24,25,26)