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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-isopentyl-quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-7-chloro-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-7-chloro-3-isoamyl-quinazolin-4-one Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H22ClN5OS/c1-13(2)9-10-28-21(29)16-8-7-14(23)11-18(16)26-22(28)30-12-19-25-17-6-4-3-5-15(17)20(24)27-19/h3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,27)