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

Systemtic Name: 1-[3-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H17N5O3 MolecularWeight: 399.40208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3/c1-14(28)16-8-4-9-17(12-16)25-21-20(27(29)30)22(24-13-23-21)26-19-11-5-7-15-6-2-3-10-18(15)19/h2-13H,1H3,(H2,23,24,25,26)