2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-pyridylmethyl)acetamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

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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)NCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H19FN4O2S/c1-13-17(10-18(26)23-11-14-6-8-22-9-7-14)19(27)25-20(24-13)28-12-15-2-4-16(21)5-3-15/h2-9H,10-12H2,1H3,(H,23,26)(H,24,25,27)