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

Systemtic Name: 3-[5,6-dimethyl-2-(3-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5,6-dimethyl-2-(m-tolyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5,6-dimethyl-2-(3-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5,6-dimethyl-2-(3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5,6-dimethyl-2-(m-tolyl)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=CC=CC(=C1)C2=NC3=C(C(=C(S3)C)C)C(=O)N2CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C)C)C(=O)N2CCC(=O)O

InChI

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