methyl 5-[[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-[4-(2-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-[4-(2-fluorophenyl)piperazino]pyrimidin-4-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O3S/c1-28-21(27)18-7-6-15(29-18)13-30-20-12-19(23-14-24-20)26-10-8-25(9-11-26)17-5-3-2-4-16(17)22/h2-7,12,14H,8-11,13H2,1H3