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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-7-chloro-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one Formula: C24H18ClN5O2S MolecularWeight: 475.95002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H18ClN5O2S/c1-32-20-9-5-4-8-19(20)30-23(31)16-11-10-14(25)12-18(16)28-24(30)33-13-21-27-17-7-3-2-6-15(17)22(26)29-21/h2-12H,13H2,1H3,(H2,26,27,29)