4-(2,3-dimethylphenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(2,3-dimethylphenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(2,3-dimethylphenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(2,3-dimethylphenoxy)-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(2,3-dimethylphenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(2,3-dimethylphenoxy)-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H22FN5O3/c1-15-6-5-9-19(16(15)2)31-22-20(28(29)30)21(24-14-25-22)27-12-10-26(11-13-27)18-8-4-3-7-17(18)23/h3-9,14H,10-13H2,1-2H3