N-(6-acetamido-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(6-acetamido-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluoranyl-benzamide Openeye Name: N-(6-acetamido-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-acetamido-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-(6-acetamido-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluorobenzamide Traditional Name: N-[6-acetamido-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H13FN4O3S MolecularWeight: 360.362823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC#C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC#C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H13FN4O3S/c1-3-8-25-16-20-13(18-9(2)22)12(15(24)21-16)19-14(23)10-4-6-11(17)7-5-10/h1,4-7H,8H2,2H3,(H,19,23)(H2,18,20,21,22,24)