3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(2,4-dioxo-1-pyrimidinyl)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(2,4-diketopyrimidin-1-yl)methyl]-4-fluoro-thiobenzamide Formula: C12H10FN3O2S MolecularWeight: 279.290103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=S)N)CN2C=CC(=O)NC2=O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=S)N)CN2C=CC(=O)NC2=O)F

InChI

InChI=1S/C12H10FN3O2S/c13-9-2-1-7(11(14)19)5-8(9)6-16-4-3-10(17)15-12(16)18/h1-5H,6H2,(H2,14,19)(H,15,17,18)