4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-methylphenyl)methylsulfanyl]pyrimidine

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-methylphenyl)methylsulfanyl]pyrimidine Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(m-tolylmethylsulfanyl)pyrimidine CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-[(3-methylphenyl)methylthio]pyrimidine IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-methylphenyl)methylsulfanyl]pyrimidine Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-[(3-methylbenzyl)thio]pyrimidine Formula: C22H23FN4S MolecularWeight: 394.508223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4S/c1-17-3-2-4-18(13-17)15-28-22-14-21(24-16-25-22)27-11-9-26(10-12-27)20-7-5-19(23)6-8-20/h2-8,13-14,16H,9-12,15H2,1H3