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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CCC(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-11(2)16-19-17-15(18(23)20(16)9-8-14(21)22)13(10-24-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,22)