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

Systemtic Name: 2-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(3-allyl-5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[(5-methyl-4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-propargyl-acetamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC#C)CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC#C)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S2/c1-4-11-22-16(25)13-27-21-23-19-17(20(26)24(21)12-5-2)14(3)18(28-19)15-9-7-6-8-10-15/h1,5-10H,2,11-13H2,3H3,(H,22,25)