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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-(2-acetonylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[2-(acetonylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C14H13FN4O3S MolecularWeight: 336.341423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H13FN4O3S/c1-7(20)6-23-14-18-11(16)10(13(22)19-14)17-12(21)8-2-4-9(15)5-3-8/h2-5H,6H2,1H3,(H,17,21)(H3,16,18,19,22)