4-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide

Systemtic Name: 4-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide Openeye Name: 4-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-phenethyl-butanamide CAS Name: 4-[[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-phenethylbutanamide IUPAC Name: 4-[5-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-phenethylbutanamide Traditional Name: 4-[[5-(2-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-phenethyl-butyramide Formula: C25H28FN3O2S MolecularWeight: 453.572123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCCC2=CC=CC=C2)C)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)NCCC2=CC=CC=C2)C)CC3=CC=CC=C3F

InChI

InChI=1S/C25H28FN3O2S/c1-18-21(17-20-11-6-7-12-22(20)26)24(31)29(2)25(28-18)32-16-8-13-23(30)27-15-14-19-9-4-3-5-10-19/h3-7,9-12H,8,13-17H2,1-2H3,(H,27,30)