4-(4-ethylphenoxy)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

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