5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]pentanoic acid

Systemtic Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]pentanoic acid Openeye Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]pentanoic acid CAS Name: 5-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]pentanoic acid IUPAC Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]pentanoic acid Traditional Name: 5-[2-[(2,5-dimethylbenzyl)thio]-4-keto-quinazolin-3-yl]valeric acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CCCCC(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-15-10-11-16(2)17(13-15)14-28-22-23-19-8-4-3-7-18(19)21(27)24(22)12-6-5-9-20(25)26/h3-4,7-8,10-11,13H,5-6,9,12,14H2,1-2H3,(H,25,26)