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

Systemtic Name: 3-[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[6-methyl-4-oxo-2-propyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[6-methyl-5-(4-methylphenyl)-4-oxo-2-propyl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[6-methyl-5-(4-methylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-propyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C)C(=O)N1CCC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C)C(=O)N1CCC(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-4-5-15-21-19-18(20(25)22(15)11-10-16(23)24)17(13(3)26-19)14-8-6-12(2)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)