4-methylsulfanyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]butyric acid Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-25-10-8-15(18(23)24)21-17-13-6-2-3-7-14(13)20-16(22-17)12-5-4-9-19-11-12/h2-7,9,11,15H,8,10H2,1H3,(H,23,24)(H,20,21,22)