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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[(3-isoamyl-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)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-10(2)7-8-17-14(20)11-5-3-4-6-12(11)16-15(17)21-9-13(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)