2-[(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-methyl-4-oxo-1H-quinazolin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(6-methyl-4-oxo-1H-quinazolin-2-yl)thio]acetic acid IUPAC Name: 2-[(6-methyl-4-oxo-1H-quinazolin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-6-methyl-1H-quinazolin-2-yl)thio]acetic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)SCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)SCC(=O)O

InChI

InChI=1S/C11H10N2O3S/c1-6-2-3-8-7(4-6)10(16)13-11(12-8)17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H,12,13,16)