1-[3-[[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C24H20N6O3 MolecularWeight: 440.454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O3/c1-17(31)19-10-7-11-20(14-19)28-23-22(30(32)33)24(27-16-26-23)29(21-12-5-6-13-25-21)15-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,26,27,28)