2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-(2-keto-2-pyrrolidino-ethyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H20FN3O2S MolecularWeight: 361.433703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCCC3

InChI

InChI=1S/C18H20FN3O2S/c1-12-15(10-16(23)22-8-2-3-9-22)17(24)21-18(20-12)25-11-13-4-6-14(19)7-5-13/h4-7H,2-3,8-11H2,1H3,(H,20,21,24)