3-[2-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)piperidin-1-yl]-5-ethyl-2-methylsulfanyl-4H-pyrimidin-4-ol

Systemtic Name: 3-[2-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)piperidin-1-yl]-5-ethyl-2-methylsulfanyl-4H-pyrimidin-4-ol Openeye Name: 3-[2-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1-piperidyl]-5-ethyl-2-methylsulfanyl-4H-pyrimidin-4-ol CAS Name: 3-[2-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1-piperidinyl]-5-ethyl-2-(methylthio)-4H-pyrimidin-4-ol IUPAC Name: 3-[2-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)piperidin-1-yl]-5-ethyl-2-methylsulfanyl-4H-pyrimidin-4-ol Traditional Name: 3-[2-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)piperidino]-5-ethyl-2-(methylthio)-4H-pyrimidin-4-ol Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N(C1O)N2CCCCC2(C3OCCO3)C4=CC=C(C=C4)F)SC

Isomeric SMILES

CCC1=CN=C(N(C1O)N2CCCCC2(C3OCCO3)C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C21H28FN3O3S/c1-3-15-14-23-20(29-2)25(18(15)26)24-11-5-4-10-21(24,19-27-12-13-28-19)16-6-8-17(22)9-7-16/h6-9,14,18-19,26H,3-5,10-13H2,1-2H3