2-[(4-fluorophenyl)methylsulfanyl]-5-prop-2-enyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-prop-2-enyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-2-[(4-fluorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-prop-2-enyl-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-prop-2-enyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-2-[(4-fluorobenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H19FN2OS MolecularWeight: 318.408963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC=C

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC=C

InChI

InChI=1S/C17H19FN2OS/c1-3-5-14-15(6-4-2)19-17(20-16(14)21)22-11-12-7-9-13(18)10-8-12/h3,7-10H,1,4-6,11H2,2H3,(H,19,20,21)