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

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]morpholine Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]morpholine CAS Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]morpholine IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]morpholine Traditional Name: 4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]morpholine Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c27-26(28)18-19(21-13-22-20(18)25-7-9-29-10-8-25)24-5-3-23(4-6-24)12-15-1-2-16-17(11-15)31-14-30-16/h1-2,11,13H,3-10,12,14H2