2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-7-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-7-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-7-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-7-chloro-3-isobutyl-quinazolin-4-one Formula: C18H23ClN6OS MolecularWeight: 406.93282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C18H23ClN6OS/c1-4-5-8-25-16(21-22-23-25)11-27-18-20-15-9-13(19)6-7-14(15)17(26)24(18)10-12(2)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3