6-bromanyl-3-[(2R)-2-oxidanylpropyl]-2-(3-phenoxypropylsulfanyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(2R)-2-oxidanylpropyl]-2-(3-phenoxypropylsulfanyl)quinazolin-4-one Openeye Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-(3-phenoxypropylsulfanyl)quinazolin-4-one CAS Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-(3-phenoxypropylthio)-4-quinazolinone IUPAC Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-(3-phenoxypropylsulfanyl)quinazolin-4-one Traditional Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-(3-phenoxypropylthio)quinazolin-4-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCOC3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCCOC3=CC=CC=C3)O

InChI

InChI=1S/C20H21BrN2O3S/c1-14(24)13-23-19(25)17-12-15(21)8-9-18(17)22-20(23)27-11-5-10-26-16-6-3-2-4-7-16/h2-4,6-9,12,14,24H,5,10-11,13H2,1H3/t14-/m1/s1