3-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-methyl-4-oxo-quinazolin-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-methyl-4-oxo-3-quinazolinyl)methylthio]propanoic acid IUPAC Name: 3-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-keto-2-methyl-quinazolin-3-yl)methylthio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CSCCC(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CSCCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-9-14-11-5-3-2-4-10(11)13(18)15(9)8-19-7-6-12(16)17/h2-5H,6-8H2,1H3,(H,16,17)