4-methylsulfanyl-2-(quinazolin-4-ylamino)butanoate

Systemtic Name: 4-methylsulfanyl-2-(quinazolin-4-ylamino)butanoate Openeye Name: 4-methylsulfanyl-2-(quinazolin-4-ylamino)butanoate CAS Name: 4-(methylthio)-2-(4-quinazolinylamino)butanoate IUPAC Name: 4-methylsulfanyl-2-(quinazolin-4-ylamino)butanoate Traditional Name: 4-(methylthio)-2-(quinazolin-4-ylamino)butyrate Formula: C13H14N3O2S- MolecularWeight: 276.33416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CSCCC(C(=O)[O-])NC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C13H15N3O2S/c1-19-7-6-11(13(17)18)16-12-9-4-2-3-5-10(9)14-8-15-12/h2-5,8,11H,6-7H2,1H3,(H,17,18)(H,14,15,16)/p-1