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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluoranyl-benzamide Openeye Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C14H11FN4O2S MolecularWeight: 318.326143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C#CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H11FN4O2S/c1-2-7-22-14-18-11(16)10(13(21)19-14)17-12(20)8-3-5-9(15)6-4-8/h1,3-6H,7H2,(H,17,20)(H3,16,18,19,21)