N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C18H22N6O4 MolecularWeight: 386.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-2-22-5-7-23(8-6-22)18-16(24(25)26)17(20-11-21-18)19-10-13-3-4-14-15(9-13)28-12-27-14/h3-4,9,11H,2,5-8,10,12H2,1H3,(H,19,20,21)