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

Systemtic Name: 5-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylthio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 5-(3-fluorobenzyl)-3,6-dimethyl-2-(p-anisylthio)pyrimidin-4-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)OC)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)OC)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O2S/c1-14-19(12-16-5-4-6-17(22)11-16)20(25)24(2)21(23-14)27-13-15-7-9-18(26-3)10-8-15/h4-11H,12-13H2,1-3H3