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

Systemtic Name: methyl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H21FN6O4 MolecularWeight: 452.438343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN6O4/c1-33-22(30)15-6-2-4-8-17(15)26-20-19(29(31)32)21(25-14-24-20)28-12-10-27(11-13-28)18-9-5-3-7-16(18)23/h2-9,14H,10-13H2,1H3,(H,24,25,26)