2-hydroxyethyl 4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzoate

Systemtic Name: 2-hydroxyethyl 4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzoate Openeye Name: 2-hydroxyethyl 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid 2-hydroxyethyl ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O6/c30-14-15-34-24(31)19-6-8-20(9-7-19)35-23-21(29(32)33)22(25-17-26-23)28-12-10-27(11-13-28)16-18-4-2-1-3-5-18/h1-9,17,30H,10-16H2