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

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C26H21N3O3S MolecularWeight: 455.52824

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O3S/c1-15-8-9-23(27-13-15)29-25(31)19-6-4-5-7-21(19)28-26(29)33-14-18-12-24(30)32-22-11-17(3)16(2)10-20(18)22/h4-13H,14H2,1-3H3