3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1-methyl-4-oxo-2-quinazolinyl)thio]propanoic acid IUPAC Name: 3-(1-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-keto-1-methyl-quinazolin-2-yl)thio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1SCCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1SCCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-14-9-5-3-2-4-8(9)11(17)13-12(14)18-7-6-10(15)16/h2-5H,6-7H2,1H3,(H,15,16)