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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-cyclohexyloxy-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(cyclohexoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-cyclohexyloxy-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-cyclohexyloxy-5-nitropyrimidine Traditional Name: 4-(cyclohexoxy)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N5O5/c28-27(29)20-21(23-14-24-22(20)32-17-4-2-1-3-5-17)26-10-8-25(9-11-26)13-16-6-7-18-19(12-16)31-15-30-18/h6-7,12,14,17H,1-5,8-11,13,15H2