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

Systemtic Name: 7-chloranyl-2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-isopentyl-quinazolin-4-one CAS Name: 7-chloro-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-isoamyl-quinazolin-4-one Formula: C22H20Cl2N4O2S MolecularWeight: 475.3908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H20Cl2N4O2S/c1-12(2)7-8-28-21(30)15-5-3-14(24)10-18(15)26-22(28)31-11-19-25-17-6-4-13(23)9-16(17)20(29)27-19/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,27,29)