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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H23N7O4/c1-26(17-8-4-3-7-16(17)22(30)33-2)20-19(29(31)32)21(25-15-24-20)28-13-11-27(12-14-28)18-9-5-6-10-23-18/h3-10,15H,11-14H2,1-2H3