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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-5-nitropyrimidin-4-amine Traditional Name: methyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N6O4/c1-18-16-15(23(24)25)17(20-10-19-16)22-6-4-21(5-7-22)9-12-2-3-13-14(8-12)27-11-26-13/h2-3,8,10H,4-7,9,11H2,1H3,(H,18,19,20)