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

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-2-9-25-19(27)13-5-3-4-6-15(13)23-20(25)28-11-17-22-16-8-7-12(21)10-14(16)18(26)24-17/h3-8,10H,2,9,11H2,1H3,(H,22,24,26)