2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-5-chloranyl-3-(3-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[1-[(2-azanyl-7H-purin-6-yl)amino]ethyl]-5-chloranyl-3-(3-fluorophenyl)quinazolin-4-one Openeye Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one CAS Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-chloro-3-(3-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one Traditional Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one Formula: C21H16ClFN8O MolecularWeight: 450.856143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC(=CC=C3)F)NC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC(C1=NC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC(=CC=C3)F)NC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C21H16ClFN8O/c1-10(27-18-16-17(26-9-25-16)29-21(24)30-18)19-28-14-7-3-6-13(22)15(14)20(32)31(19)12-5-2-4-11(23)8-12/h2-10H,1H3,(H4,24,25,26,27,29,30)