2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C20H21FN2O3S MolecularWeight: 388.455743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H21FN2O3S/c1-25-11-5-10-23-19(24)15-6-3-4-7-17(15)22-20(23)27-13-14-8-9-18(26-2)16(21)12-14/h3-4,6-9,12H,5,10-11,13H2,1-2H3