N-[3,4-bis(fluoranyl)phenyl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide CAS Name: N-(3,4-difluorophenyl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3,4-difluorophenyl)acetamide Formula: C19H17F2N3O2S2 MolecularWeight: 421.483986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)F)CC=C)C

InChI

InChI=1S/C19H17F2N3O2S2/c1-4-7-24-18(26)16-10(2)11(3)28-17(16)23-19(24)27-9-15(25)22-12-5-6-13(20)14(21)8-12/h4-6,8H,1,7,9H2,2-3H3,(H,22,25)