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

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butyric acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C12H13N3O5S/c1-4-6-9(17)13-3-14-11(6)21-8(4)10(18)15-7(5(2)16)12(19)20/h3,5,7,16H,1-2H3,(H,15,18)(H,19,20)(H,13,14,17)