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

Systemtic Name: 2-[4-[3-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)propylamino]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(2-ethyl-4-oxo-quinazolin-3-yl)propylamino]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[3-(2-ethyl-4-oxo-3-quinazolinyl)propylamino]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(2-ethyl-4-oxoquinazolin-3-yl)propylamino]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[3-(2-ethyl-4-keto-quinazolin-3-yl)propylamino]phenyl]thio]-2-methyl-propionic acid Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1CCCNC3=CC=C(C=C3)SC(C)(C)C(=O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1CCCNC3=CC=C(C=C3)SC(C)(C)C(=O)O

InChI

InChI=1S/C23H27N3O3S/c1-4-20-25-19-9-6-5-8-18(19)21(27)26(20)15-7-14-24-16-10-12-17(13-11-16)30-23(2,3)22(28)29/h5-6,8-13,24H,4,7,14-15H2,1-3H3,(H,28,29)