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

Systemtic Name: ethanedioic acid; ethyl 5-methyl-4-oxidanylidene-2-[(prop-2-enylamino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(allylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate; oxalic acid CAS Name: 5-methyl-4-oxo-2-[(prop-2-enylamino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-methyl-4-oxo-2-[(prop-2-enylamino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate; oxalic acid Traditional Name: 2-[(allylamino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester; oxalic acid Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CNCC=C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CNCC=C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17N3O3S.C2H2O4/c1-4-6-15-7-9-16-12(18)10-8(3)11(14(19)20-5-2)21-13(10)17-9;3-1(4)2(5)6/h4,15H,1,5-7H2,2-3H3,(H,16,17,18);(H,3,4)(H,5,6)