2-hydroxyethyl 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate

Systemtic Name: 2-hydroxyethyl 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate Openeye Name: 2-hydroxyethyl 4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxybenzoic acid 2-hydroxyethyl ester Formula: C22H22N6O6 MolecularWeight: 466.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O6/c29-13-14-33-22(30)16-4-6-17(7-5-16)34-21-19(28(31)32)20(24-15-25-21)27-11-9-26(10-12-27)18-3-1-2-8-23-18/h1-8,15,29H,9-14H2