2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(3-allyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(5-cyclopropyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-allyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2CC=C)OC

InChI

InChI=1S/C22H23N3O4S2/c1-4-9-25-21(27)19-15(13-5-6-13)11-30-20(19)24-22(25)31-12-18(26)23-14-7-8-16(28-2)17(10-14)29-3/h4,7-8,10-11,13H,1,5-6,9,12H2,2-3H3,(H,23,26)