3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[(4S)-8-fluorothiochroman-4-yl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[(4S)-8-fluorothiochroman-4-yl]propionamide Formula: C19H22FN3OS2 MolecularWeight: 391.525883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2CCSC3=C2C=CC=C3F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N[C@H]2CCSC3=C2C=CC=C3F

InChI

InChI=1S/C19H22FN3OS2/c1-11-13(12(2)22-19(21-11)25-3)7-8-17(24)23-16-9-10-26-18-14(16)5-4-6-15(18)20/h4-6,16H,7-10H2,1-3H3,(H,23,24)/t16-/m0/s1