2-[(4-fluorophenyl)methylsulfanyl]-1-[(5-methylfuran-2-yl)methyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-[(5-methylfuran-2-yl)methyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-[(5-methyl-2-furyl)methyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-[(5-methyl-2-furanyl)methyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-[(5-methylfuran-2-yl)methyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-[(5-methyl-2-furyl)methyl]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CC1=CC=C(O1)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H19FN4O2S/c1-15-2-7-20(29-15)12-27-11-18(8-17-9-24-14-25-10-17)21(28)26-22(27)30-13-16-3-5-19(23)6-4-16/h2-7,9-11,14H,8,12-13H2,1H3