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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1-methoxypropan-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N6O5/c1-14(11-29-2)23-19-18(26(27)28)20(22-12-21-19)25-7-5-24(6-8-25)10-15-3-4-16-17(9-15)31-13-30-16/h3-4,9,12,14H,5-8,10-11,13H2,1-2H3,(H,21,22,23)