N-[4-[[2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-[[2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-nitro-benzamide CAS Name: N-[4-[[2-methyl-6-(4-methylanilino)-4-pyrimidinyl]amino]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-nitrobenzamide Traditional Name: N-[4-[[2-methyl-6-(p-toluidino)pyrimidin-4-yl]amino]phenyl]-2-nitro-benzamide Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=NC(=N2)C)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=NC(=N2)C)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O3/c1-16-7-9-18(10-8-16)28-23-15-24(27-17(2)26-23)29-19-11-13-20(14-12-19)30-25(32)21-5-3-4-6-22(21)31(33)34/h3-15H,1-2H3,(H,30,32)(H2,26,27,28,29)