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

Systemtic Name: 2-[4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-(4-isopropylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-(4-keto-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-10(2)11-3-5-12(6-4-11)13-8-23-16-15(13)17(22)19(9-18-16)7-14(20)21/h3-6,8-10H,7H2,1-2H3,(H,20,21)