2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C25H18ClN3O3S MolecularWeight: 475.94672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)Cl)C

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)Cl)C

InChI

InChI=1S/C25H18ClN3O3S/c1-14-7-8-22(27-12-14)29-24(31)17-5-3-4-6-20(17)28-25(29)33-13-16-10-23(30)32-21-9-15(2)19(26)11-18(16)21/h3-12H,13H2,1-2H3