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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-butyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-butyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-butyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-butyl-5-nitropyrimidin-4-amine Traditional Name: butyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N6O4/c1-2-3-6-21-19-18(26(27)28)20(23-13-22-19)25-9-7-24(8-10-25)12-15-4-5-16-17(11-15)30-14-29-16/h4-5,11,13H,2-3,6-10,12,14H2,1H3,(H,21,22,23)