3-cyclopentyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-cyclopentyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[5-(2-thienyl)isoxazol-3-yl]methylthio]quinazolin-4-one Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C21H19N3O2S2/c25-20-16-8-3-4-9-17(16)22-21(24(20)15-6-1-2-7-15)28-13-14-12-18(26-23-14)19-10-5-11-27-19/h3-5,8-12,15H,1-2,6-7,13H2