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

Systemtic Name: ethanedioic acid; methyl 2-[(butan-2-ylamino)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(sec-butylamino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate; oxalic acid CAS Name: 2-[(butan-2-ylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(butan-2-ylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate; oxalic acid Traditional Name: 4-keto-5-methyl-2-[(sec-butylamino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester; oxalic acid Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCC1=NC2=C(C(=C(S2)C(=O)OC)C)C(=O)N1.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O3S.C2H2O4/c1-5-7(2)15-6-9-16-12(18)10-8(3)11(14(19)20-4)21-13(10)17-9;3-1(4)2(5)6/h7,15H,5-6H2,1-4H3,(H,16,17,18);(H,3,4)(H,5,6)