4-[3-(4-fluorophenyl)-1-[1-(phenylmethyl)piperidin-4-yl]pyrrol-2-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[3-(4-fluorophenyl)-1-[1-(phenylmethyl)piperidin-4-yl]pyrrol-2-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[1-(1-benzyl-4-piperidyl)-3-(4-fluorophenyl)pyrrol-2-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[3-(4-fluorophenyl)-1-[1-(phenylmethyl)-4-piperidinyl]-2-pyrrolyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)pyrrol-2-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[1-(1-benzyl-4-piperidyl)-3-(4-fluorophenyl)pyrrol-2-yl]-2-(methylthio)pyrimidine Formula: C27H27FN4S MolecularWeight: 458.593483

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=C(C=CN2C3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CSC1=NC=CC(=N1)C2=C(C=CN2C3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN4S/c1-33-27-29-15-11-25(30-27)26-24(21-7-9-22(28)10-8-21)14-18-32(26)23-12-16-31(17-13-23)19-20-5-3-2-4-6-20/h2-11,14-15,18,23H,12-13,16-17,19H2,1H3