2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H17N5O4S2 MolecularWeight: 479.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C22H17N5O4S2/c1-12-16-19(28)23-15(24-20(16)33-17(12)21(29)30)11-32-22-26-25-18(13-6-3-2-4-7-13)27(22)10-14-8-5-9-31-14/h2-9H,10-11H2,1H3,(H,29,30)(H,23,24,28)