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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N5O5/c1-17(2)19-4-6-20(7-5-19)35-25-23(30(31)32)24(26-15-27-25)29-11-9-28(10-12-29)14-18-3-8-21-22(13-18)34-16-33-21/h3-8,13,15,17H,9-12,14,16H2,1-2H3