4-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-keto-1-methyl-6-(3-phenylprop-1-ynyl)-4H-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C(=O)O)SC(=C2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C(=O)O)SC(=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c1-25-21-14-20(9-5-8-17-6-3-2-4-7-17)30-22(21)16-26(24(25)29)15-18-10-12-19(13-11-18)23(27)28/h2-4,6-7,10-14H,8,15-16H2,1H3,(H,27,28)