2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-4-oxidanyl-butanoic acid

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-4-oxidanyl-butanoic acid Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-4-hydroxy-butanoic acid CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-4-hydroxybutanoic acid IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-4-hydroxybutanoic acid Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-4-hydroxy-butyric acid Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(CCO)C(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(CCO)C(=O)O

InChI

InChI=1S/C17H21ClN2O4S/c1-10(2)5-7-20-15(22)12-4-3-11(18)9-13(12)19-17(20)25-14(6-8-21)16(23)24/h3-4,9-10,14,21H,5-8H2,1-2H3,(H,23,24)