2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C23H16ClN5O2S MolecularWeight: 461.92344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C23H16ClN5O2S/c1-13-6-9-20(25-11-13)29-22(31)16-4-2-3-5-17(16)27-23(29)32-12-19-26-18-10-14(24)7-8-15(18)21(30)28-19/h2-11H,12H2,1H3,(H,26,28,30)