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

Systemtic Name: 3-[5-(2-methoxy-5-methyl-phenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(2-methoxy-5-methyl-phenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(2-methoxy-5-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5-(2-methoxy-5-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=C(SC3=C2C(=O)N(C=N3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=C(SC3=C2C(=O)N(C=N3)CCC(=O)O)C

InChI

InChI=1S/C18H18N2O4S/c1-10-4-5-13(24-3)12(8-10)15-11(2)25-17-16(15)18(23)20(9-19-17)7-6-14(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)