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

Systemtic Name: 3-[5-(4-tert-butylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-tert-butylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-tert-butylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-tert-butylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(4-tert-butylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)O

InChI

InChI=1S/C19H20N2O3S/c1-19(2,3)13-6-4-12(5-7-13)14-10-25-17-16(14)18(24)21(11-20-17)9-8-15(22)23/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)