2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-(2-furfuryl)quinazolin-4-one Formula: C22H15ClN4O3S MolecularWeight: 450.8975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)CC5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)CC5=CC=CO5

InChI

InChI=1S/C22H15ClN4O3S/c23-13-7-8-18-16(10-13)20(28)26-19(24-18)12-31-22-25-17-6-2-1-5-15(17)21(29)27(22)11-14-4-3-9-30-14/h1-10H,11-12H2,(H,24,26,28)