1-(3-decylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-(3-decylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-(3-decylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(3-decylphenyl)-2-[(4-fluorophenyl)methylthio]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-(3-decylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-(3-decylphenyl)-2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C32H37FN4OS MolecularWeight: 544.725783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=CC=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCCCCCCC1=CC(=CC=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C32H37FN4OS/c1-2-3-4-5-6-7-8-9-11-25-12-10-13-30(19-25)37-22-28(18-27-20-34-24-35-21-27)31(38)36-32(37)39-23-26-14-16-29(33)17-15-26/h10,12-17,19-22,24H,2-9,11,18,23H2,1H3