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

Systemtic Name: 5-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-methylsulfanyl-4H-pyrimidin-4-ol Openeye Name: 5-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-piperidyl]-2-methylsulfanyl-4H-pyrimidin-4-ol CAS Name: 5-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-piperidinyl]-2-(methylthio)-4H-pyrimidin-4-ol IUPAC Name: 5-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-methylsulfanyl-4H-pyrimidin-4-ol Traditional Name: 5-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidino]-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)N2CCCCC2C3(OCCO3)C4=CC=C(C=C4)F)SC

Isomeric SMILES

CCC1=CN=C(N(C1O)N2CCCCC2C3(OCCO3)C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C21H28FN3O3S/c1-3-15-14-23-20(29-2)25(19(15)26)24-11-5-4-6-18(24)21(27-12-13-28-21)16-7-9-17(22)10-8-16/h7-10,14,18-19,26H,3-6,11-13H2,1-2H3