N-[4-(but-2-ynylamino)-6-chloranyl-pyrimidin-5-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-(but-2-ynylamino)-6-chloranyl-pyrimidin-5-yl]-3-fluoranyl-benzamide Openeye Name: N-[4-(but-2-ynylamino)-6-chloro-pyrimidin-5-yl]-3-fluoro-benzamide CAS Name: N-[4-(but-2-ynylamino)-6-chloro-5-pyrimidinyl]-3-fluorobenzamide IUPAC Name: N-[4-(but-2-ynylamino)-6-chloropyrimidin-5-yl]-3-fluorobenzamide Traditional Name: N-[4-(but-2-ynylamino)-6-chloro-pyrimidin-5-yl]-3-fluoro-benzamide Formula: C15H12ClFN4O MolecularWeight: 318.733383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=C(C(=NC=N1)Cl)NC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CC#CCNC1=C(C(=NC=N1)Cl)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H12ClFN4O/c1-2-3-7-18-14-12(13(16)19-9-20-14)21-15(22)10-5-4-6-11(17)8-10/h4-6,8-9H,7H2,1H3,(H,21,22)(H,18,19,20)