4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-ethoxy-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethoxy-5-nitropyrimidine Traditional Name: 4-ethoxy-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C18H21N5O5 MolecularWeight: 387.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N5O5/c1-2-26-18-16(23(24)25)17(19-11-20-18)22-7-5-21(6-8-22)10-13-3-4-14-15(9-13)28-12-27-14/h3-4,9,11H,2,5-8,10,12H2,1H3