2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-7-chloro-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-7-chloro-3-(o-tolyl)quinazolin-4-one Formula: C24H18ClN5OS MolecularWeight: 459.95062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H18ClN5OS/c1-14-6-2-5-9-20(14)30-23(31)17-11-10-15(25)12-19(17)28-24(30)32-13-21-27-18-8-4-3-7-16(18)22(26)29-21/h2-12H,13H2,1H3,(H2,26,27,29)