2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C20H19ClN2O4S MolecularWeight: 418.89386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

InChI

InChI=1S/C20H19ClN2O4S/c21-15-8-13-10-26-12-27-18(13)14(9-15)11-28-20-22-17-5-2-1-4-16(17)19(25)23(20)6-3-7-24/h1-2,4-5,8-9,24H,3,6-7,10-12H2