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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-(2-oxolanylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N6O5/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/h3-4,10,13,16H,1-2,5-9,11-12,14H2,(H,22,23,24)