N-[4-[[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C24H21N7O3 MolecularWeight: 455.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N7O3/c1-17(32)28-19-10-12-20(13-11-19)29-23-22(31(33)34)24(27-16-26-23)30(21-9-5-6-14-25-21)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,28,32)(H,26,27,29)