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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CCC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CCC(=O)O

InChI

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