3-(6-aminocarbonyl-5-methyl-4-oxidanylidene-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: 3-(6-aminocarbonyl-5-methyl-4-oxidanylidene-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-[6-carbamoyl-5-methyl-4-oxo-2-(4-pyridyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-(6-carbamoyl-5-methyl-4-oxo-2-pyridin-4-yl-3-thieno[2,3-d]pyrimidinyl)propanoic acid IUPAC Name: 3-(6-carbamoyl-5-methyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[6-carbamoyl-4-keto-5-methyl-2-(4-pyridyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=NC=C3)CCC(=O)O)C(=O)N

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=NC=C3)CCC(=O)O)C(=O)N

InChI

InChI=1S/C16H14N4O4S/c1-8-11-15(25-12(8)13(17)23)19-14(9-2-5-18-6-3-9)20(16(11)24)7-4-10(21)22/h2-3,5-6H,4,7H2,1H3,(H2,17,23)(H,21,22)