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

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide Openeye Name: 3-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide CAS Name: 3-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide Traditional Name: 3-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluorophenyl)propionamide Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2S2/c1-4-10-24-19(26)17-12(2)13(3)28-18(17)23-20(24)27-11-9-16(25)22-15-7-5-14(21)6-8-15/h4-8H,1,9-11H2,2-3H3,(H,22,25)