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

Systemtic Name: 4-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)butanamide Openeye Name: 4-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)butanamide CAS Name: 4-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methoxyphenyl)butanamide IUPAC Name: 4-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)butanamide Traditional Name: 4-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-methoxyphenyl)butyramide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)NC3=CC=C(C=C3)OC)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)NC3=CC=C(C=C3)OC)CC=C)C

InChI

InChI=1S/C22H25N3O3S2/c1-5-12-25-21(27)19-14(2)15(3)30-20(19)24-22(25)29-13-6-7-18(26)23-16-8-10-17(28-4)11-9-16/h5,8-11H,1,6-7,12-13H2,2-4H3,(H,23,26)