4-[[furan-2-ylmethyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[furan-2-ylmethyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[2-furylmethyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[2-furanylmethyl-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[furan-2-ylmethyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[2-furfuryl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]methyl]benzoic acid Formula: C26H25N7O5 MolecularWeight: 515.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N(CC4=CC=C(C=C4)C(=O)O)CC5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N(CC4=CC=C(C=C4)C(=O)O)CC5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N7O5/c34-26(35)20-8-6-19(7-9-20)16-32(17-21-4-3-15-38-21)25-23(33(36)37)24(28-18-29-25)31-13-11-30(12-14-31)22-5-1-2-10-27-22/h1-10,15,18H,11-14,16-17H2,(H,34,35)