3-[5-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[5-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(2-methoxy-5-methyl-phenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(2-methoxy-5-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(2-methoxy-5-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5-(2-methoxy-5-methyl-phenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)O

InChI

InChI=1S/C17H16N2O4S/c1-10-3-4-13(23-2)11(7-10)12-8-24-16-15(12)17(22)19(9-18-16)6-5-14(20)21/h3-4,7-9H,5-6H2,1-2H3,(H,20,21)