[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitrobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazino)-3-nitro-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C28H26N6O4 MolecularWeight: 510.54384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N6O4/c1-32-13-15-33(16-14-32)25-12-7-21(17-26(25)34(36)37)28(35)38-23-10-8-22(9-11-23)31-27-18-24(29-19-30-27)20-5-3-2-4-6-20/h2-12,17-19H,13-16H2,1H3,(H,29,30,31)