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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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