2-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenoxy]ethanol

Systemtic Name: 2-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenoxy]ethanol Openeye Name: 2-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenoxy]ethanol CAS Name: 2-[3-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]phenoxy]ethanol IUPAC Name: 2-[3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyphenoxy]ethanol Traditional Name: 2-[3-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxyphenoxy]ethanol Formula: C24H25N5O7 MolecularWeight: 495.4846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC(=CC=C5)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC(=CC=C5)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O7/c30-10-11-33-18-2-1-3-19(13-18)36-24-22(29(31)32)23(25-15-26-24)28-8-6-27(7-9-28)14-17-4-5-20-21(12-17)35-16-34-20/h1-5,12-13,15,30H,6-11,14,16H2