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

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-(2,4-dimethylphenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(2,4-dimethylphenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(2,4-dimethylphenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-(2,4-dimethylphenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]-N-propargyl-acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC#C)SC(=C3C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC#C)SC(=C3C)C)C

InChI

InChI=1S/C21H21N3O2S2/c1-6-9-22-17(25)11-27-21-23-19-18(14(4)15(5)28-19)20(26)24(21)16-8-7-12(2)10-13(16)3/h1,7-8,10H,9,11H2,2-5H3,(H,22,25)