methyl 5-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxypyridine-3-carboxylate

Systemtic Name: methyl 5-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate CAS Name: 5-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxypyridine-3-carboxylate Traditional Name: 5-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxynicotinic acid methyl ester Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O5/c1-32-22(29)17-11-18(13-23-12-17)33-21-19(28(30)31)20(24-15-25-21)27-9-7-26(8-10-27)14-16-5-3-2-4-6-16/h2-6,11-13,15H,7-10,14H2,1H3