2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C22H26N2O3S/c1-16-13-17(2)15-18(14-16)27-11-6-12-28-22-23-20-8-4-3-7-19(20)21(26)24(22)9-5-10-25/h3-4,7-8,13-15,25H,5-6,9-12H2,1-2H3