3-(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-(6-chloro-2-isopropyl-quinazolin-4-yl)sulfanylpropanoic acid CAS Name: 3-[(6-chloro-2-propan-2-yl-4-quinazolinyl)thio]propanoic acid IUPAC Name: 3-(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-chloro-2-isopropyl-quinazolin-4-yl)thio]propionic acid Formula: C14H15ClN2O2S MolecularWeight: 310.7991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCCC(=O)O

InChI

InChI=1S/C14H15ClN2O2S/c1-8(2)13-16-11-4-3-9(15)7-10(11)14(17-13)20-6-5-12(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)