2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-isopropyl-quinazolin-4-one CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-isopropyl-quinazolin-4-one Formula: C20H19BrN2O3S MolecularWeight: 447.34546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H19BrN2O3S/c1-12(2)23-19(24)14-5-3-4-6-16(14)22-20(23)27-11-13-9-17-18(10-15(13)21)26-8-7-25-17/h3-6,9-10,12H,7-8,11H2,1-2H3