2-methyl-2-[4-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propylamino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[3-(2-methyl-4-oxo-quinazolin-3-yl)propylamino]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[3-(2-methyl-4-oxo-3-quinazolinyl)propylamino]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propylamino]phenyl]sulfanylpropanoic acid Traditional Name: 2-[[4-[3-(4-keto-2-methyl-quinazolin-3-yl)propylamino]phenyl]thio]-2-methyl-propionic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCNC3=CC=C(C=C3)SC(C)(C)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCNC3=CC=C(C=C3)SC(C)(C)C(=O)O

InChI

InChI=1S/C22H25N3O3S/c1-15-24-19-8-5-4-7-18(19)20(26)25(15)14-6-13-23-16-9-11-17(12-10-16)29-22(2,3)21(27)28/h4-5,7-12,23H,6,13-14H2,1-3H3,(H,27,28)