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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(4-methylphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylphenoxy)-5-nitropyrimidine Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-(4-methylphenoxy)-5-nitro-pyrimidine Formula: C21H20FN5O3 MolecularWeight: 409.413603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O3/c1-15-2-8-18(9-3-15)30-21-19(27(28)29)20(23-14-24-21)26-12-10-25(11-13-26)17-6-4-16(22)5-7-17/h2-9,14H,10-13H2,1H3