2-(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylethanoic acid Openeye Name: 2-(6-chloro-2-isopropyl-quinazolin-4-yl)sulfanylacetic acid CAS Name: 2-[(6-chloro-2-propan-2-yl-4-quinazolinyl)thio]acetic acid IUPAC Name: 2-(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-chloro-2-isopropyl-quinazolin-4-yl)thio]acetic acid Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC(=O)O

InChI

InChI=1S/C13H13ClN2O2S/c1-7(2)12-15-10-4-3-8(14)5-9(10)13(16-12)19-6-11(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)