6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-furylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-furanylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: 2-furfuryl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5/c28-27(29)19-20(22-11-16-2-1-9-30-16)23-13-24-21(19)26-7-5-25(6-8-26)12-15-3-4-17-18(10-15)32-14-31-17/h1-4,9-10,13H,5-8,11-12,14H2,(H,22,23,24)