2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-morpholinopyrimidin-5-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[[2-(4-morpholinyl)-5-pyrimidinyl]methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[(2-morpholinopyrimidin-5-yl)methyl]-1H-pyrimidin-6-one Formula: C20H20FN5O2S MolecularWeight: 413.468503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=N2)CC3=CN=C(NC3=O)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1C2=NC=C(C=N2)CC3=CN=C(NC3=O)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5O2S/c21-17-3-1-14(2-4-17)13-29-20-24-12-16(18(27)25-20)9-15-10-22-19(23-11-15)26-5-7-28-8-6-26/h1-4,10-12H,5-9,13H2,(H,24,25,27)