5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-phenacylsulfanyl-pyrimidin-4-one

Systemtic Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-phenacylsulfanyl-pyrimidin-4-one Openeye Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-phenacylsulfanyl-pyrimidin-4-one CAS Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-(phenacylthio)-4-pyrimidinone IUPAC Name: 5-[(3-fluorophenyl)methyl]-3,6-dimethyl-2-phenacylsulfanylpyrimidin-4-one Traditional Name: 5-(3-fluorobenzyl)-3,6-dimethyl-2-(phenacylthio)pyrimidin-4-one Formula: C21H19FN2O2S MolecularWeight: 382.451163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC(=O)C2=CC=CC=C2)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC(=O)C2=CC=CC=C2)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H19FN2O2S/c1-14-18(12-15-7-6-10-17(22)11-15)20(26)24(2)21(23-14)27-13-19(25)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3