7-(1-adamantyl)-3-azanyl-2-[(3-fluorophenyl)amino]thiopyrano[2,3-b]pyridin-4-one

Systemtic Name: 7-(1-adamantyl)-3-azanyl-2-[(3-fluorophenyl)amino]thiopyrano[2,3-b]pyridin-4-one Openeye Name: 7-(1-adamantyl)-3-amino-2-(3-fluoroanilino)thiopyrano[2,3-b]pyridin-4-one CAS Name: 7-(1-adamantyl)-3-amino-2-(3-fluoroanilino)-4-thiopyrano[2,3-b]pyridinone IUPAC Name: 7-(1-adamantyl)-3-amino-2-(3-fluoroanilino)thiopyrano[2,3-b]pyridin-4-one Traditional Name: 7-(1-adamantyl)-3-amino-2-(3-fluoroanilino)thiopyrano[2,3-b]pyridin-4-one Formula: C24H24FN3OS MolecularWeight: 421.530263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=O)C(=C(S5)NC6=CC(=CC=C6)F)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=O)C(=C(S5)NC6=CC(=CC=C6)F)N

InChI

InChI=1S/C24H24FN3OS/c25-16-2-1-3-17(9-16)27-23-20(26)21(29)18-4-5-19(28-22(18)30-23)24-10-13-6-14(11-24)8-15(7-13)12-24/h1-5,9,13-15,27H,6-8,10-12,26H2