2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-6-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-6-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-6-chloro-3-isobutyl-quinazolin-4-one Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H20ClN5OS/c1-12(2)10-27-20(28)15-9-13(22)7-8-17(15)25-21(27)29-11-18-24-16-6-4-3-5-14(16)19(23)26-18/h3-9,12H,10-11H2,1-2H3,(H2,23,24,26)