2-methylpropyl 4-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C24H27N7O4 MolecularWeight: 477.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H27N7O4/c1-17(2)15-35-24(32)18-6-8-19(9-7-18)28-22-21(31(33)34)23(27-16-26-22)30-13-11-29(12-14-30)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,27,28)