3-(3,5-dimethylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=CC=CC=C5N4)C

InChI

InChI=1S/C25H20N4O2S/c1-15-11-16(2)13-17(12-15)29-24(31)19-8-4-6-10-21(19)27-25(29)32-14-22-26-20-9-5-3-7-18(20)23(30)28-22/h3-13H,14H2,1-2H3,(H,26,28,30)