4-oxidanyl-2-quinazolin-4-ylsulfanyl-pentanoic acid

Systemtic Name: 4-oxidanyl-2-quinazolin-4-ylsulfanyl-pentanoic acid Openeye Name: 4-hydroxy-2-quinazolin-4-ylsulfanyl-pentanoic acid CAS Name: 4-hydroxy-2-(4-quinazolinylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-quinazolin-4-ylsulfanylpentanoic acid Traditional Name: 4-hydroxy-2-(quinazolin-4-ylthio)valeric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)SC1=NC=NC2=CC=CC=C21)O

Isomeric SMILES

CC(CC(C(=O)O)SC1=NC=NC2=CC=CC=C21)O

InChI

InChI=1S/C13H14N2O3S/c1-8(16)6-11(13(17)18)19-12-9-4-2-3-5-10(9)14-7-15-12/h2-5,7-8,11,16H,6H2,1H3,(H,17,18)