2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-6-bromanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-6-bromanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-6-bromo-3-ethyl-quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-6-bromo-3-ethyl-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-6-bromo-3-ethylquinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-6-bromo-3-ethyl-quinazolin-4-one Formula: C19H16BrN5OS MolecularWeight: 442.33224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5OS/c1-2-25-18(26)13-9-11(20)7-8-15(13)23-19(25)27-10-16-22-14-6-4-3-5-12(14)17(21)24-16/h3-9H,2,10H2,1H3,(H2,21,22,24)