ethanedioic acid; 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butanoic acid

Systemtic Name: ethanedioic acid; 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butanoic acid; oxalic acid CAS Name: 2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-3-methylbutanoic acid; oxalic acid IUPAC Name: 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid; oxalic acid Traditional Name: 2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-methyl-butyric acid; oxalic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC(C(C)C)C(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NC(C(C)C)C(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O2S.C2H2O4/c1-5-9-6-10-12(15-8(4)16-13(10)20-9)17-11(7(2)3)14(18)19;3-1(4)2(5)6/h6-7,11H,5H2,1-4H3,(H,18,19)(H,15,16,17);(H,3,4)(H,5,6)