2-[3-(3-methylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(3-methylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(1,2-dimethylpropyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(3-methylbutan-2-yl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(3-methylbutan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(1,2-dimethylpropyl)-4-keto-quinazolin-2-yl]thio]acetic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(C)C(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-9(2)10(3)17-14(20)11-6-4-5-7-12(11)16-15(17)21-8-13(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)