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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C24H24ClN5O5 MolecularWeight: 497.93086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24ClN5O5/c1-15-9-18(10-16(2)21(15)25)35-24-22(30(31)32)23(26-13-27-24)29-7-5-28(6-8-29)12-17-3-4-19-20(11-17)34-14-33-19/h3-4,9-11,13H,5-8,12,14H2,1-2H3