4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-5-nitro-6-(p-tolylthio)pyrimidine Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN5O2S/c1-15-6-8-16(9-7-15)30-21-19(27(28)29)20(23-14-24-21)26-12-10-25(11-13-26)18-5-3-2-4-17(18)22/h2-9,14H,10-13H2,1H3