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

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propionic acid Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5S/c1-4-6-8(16)12-3-13-10(6)20-7(4)9(17)14-5(2-15)11(18)19/h3,5,15H,2H2,1H3,(H,14,17)(H,18,19)(H,12,13,16)