2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H13N3O5S2 MolecularWeight: 379.41082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CO3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C15H13N3O5S2/c1-7-10-12(20)17-15(18-13(10)25-11(7)14(21)22)24-6-9(19)16-5-8-3-2-4-23-8/h2-4H,5-6H2,1H3,(H,16,19)(H,21,22)(H,17,18,20)