N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: 4-fluoro-N-[2-[(1S)-1-methylpropyl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-[[(2S)-butan-2-yl]thio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[4-keto-2-[[(1S)-1-methylpropyl]thio]-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C18H21FN4O3S MolecularWeight: 392.447743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN4O3S/c1-4-10(3)27-18-22-15(20-13(24)5-2)14(17(26)23-18)21-16(25)11-6-8-12(19)9-7-11/h6-10H,4-5H2,1-3H3,(H,21,25)(H2,20,22,23,24,26)/t10-/m0/s1