3-azanyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[(4S)-6-fluorothiochroman-4-yl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[(4S)-6-fluorothiochroman-4-yl]pyrazinamide Formula: C14H13FN4OS MolecularWeight: 304.342623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=NC=CN=C3N)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=NC=CN=C3N)C=C(C=C2)F

InChI

InChI=1S/C14H13FN4OS/c15-8-1-2-11-9(7-8)10(3-6-21-11)19-14(20)12-13(16)18-5-4-17-12/h1-2,4-5,7,10H,3,6H2,(H2,16,18)(H,19,20)/t10-/m0/s1