N-[6-azanyl-2-(2-methoxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2-(2-methoxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-(2-methoxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-(2-methoxyethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-(2-methoxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-methoxyethylthio)-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C14H15FN4O3S MolecularWeight: 338.357303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H15FN4O3S/c1-22-6-7-23-14-18-11(16)10(13(21)19-14)17-12(20)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H,17,20)(H3,16,18,19,21)