2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluorophenyl)butyramide Formula: C21H22FN3O2S2 MolecularWeight: 431.546683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

InChI

InChI=1S/C21H22FN3O2S2/c1-5-11-25-20(27)17-12(3)13(4)28-19(17)24-21(25)29-16(6-2)18(26)23-15-9-7-14(22)8-10-15/h5,7-10,16H,1,6,11H2,2-4H3,(H,23,26)