ethanedioic acid; methyl 2-[(furan-2-ylmethylamino)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethanedioic acid; methyl 2-[(furan-2-ylmethylamino)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(2-furylmethylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate; oxalic acid CAS Name: 2-[(2-furanylmethylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(furan-2-ylmethylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate; oxalic acid Traditional Name: 2-[(2-furfurylamino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester; oxalic acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CNCC3=CC=CO3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CNCC3=CC=CO3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15N3O4S.C2H2O4/c1-8-11-13(19)17-10(7-16-6-9-4-3-5-22-9)18-14(11)23-12(8)15(20)21-2;3-1(4)2(5)6/h3-5,16H,6-7H2,1-2H3,(H,17,18,19);(H,3,4)(H,5,6)