4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(2-ethyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(2-ethylpiperidino)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H30N6O4/c1-2-18-5-3-4-8-28(18)23-21(29(30)31)22(24-15-25-23)27-11-9-26(10-12-27)14-17-6-7-19-20(13-17)33-16-32-19/h6-7,13,15,18H,2-5,8-12,14,16H2,1H3