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

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(3,4-dimethylphenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-10-4-5-13(8-11(10)2)15-12(3)24-17-16(15)18(23)20(9-19-17)7-6-14(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)