2-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]butanoic acid

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]butanoic acid Openeye Name: 2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid CAS Name: 2-[[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid Traditional Name: 2-[(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butyric acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=C(C2=C(S1)N=CNC2=O)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=C(C2=C(S1)N=CNC2=O)C

InChI

InChI=1S/C12H13N3O4S/c1-3-6(12(18)19)15-10(17)8-5(2)7-9(16)13-4-14-11(7)20-8/h4,6H,3H2,1-2H3,(H,15,17)(H,18,19)(H,13,14,16)