N-[(4-fluorophenyl)methyl]-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-fluorobenzyl)propionamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O2S/c1-15-19(11-12-20(27)24-13-16-7-9-18(23)10-8-16)21(28)26-22(25-15)29-14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,24,27)(H,25,26,28)