2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H26N2O2S/c1-22(2,3)17-11-9-16(10-12-17)15-27-21-23-19-8-5-4-7-18(19)20(26)24(21)13-6-14-25/h4-5,7-12,25H,6,13-15H2,1-3H3