3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C21H20FN3O2S2 MolecularWeight: 429.530803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H20FN3O2S2/c1-12-13(2)28-18-17(12)19(24-11-23-18)29-16-5-3-4-10-25(21(16)27)20(26)14-6-8-15(22)9-7-14/h6-9,11,16H,3-5,10H2,1-2H3