2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-3-(2-chlorophenyl)-5-fluoranyl-quinazolin-4-one

Systemtic Name: 2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-3-(2-chlorophenyl)-5-fluoranyl-quinazolin-4-one Openeye Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-chlorophenyl)-5-fluoro-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-chlorophenyl)-5-fluoro-4-quinazolinone IUPAC Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-chlorophenyl)-5-fluoroquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-chlorophenyl)-5-fluoro-quinazolin-4-one Formula: C20H14ClFN8O MolecularWeight: 436.829563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)CNC4=NC(=NC5=C4NC=N5)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)CNC4=NC(=NC5=C4NC=N5)N)Cl

InChI

InChI=1S/C20H14ClFN8O/c21-10-4-1-2-7-13(10)30-14(27-12-6-3-5-11(22)15(12)19(30)31)8-24-17-16-18(26-9-25-16)29-20(23)28-17/h1-7,9H,8H2,(H4,23,24,25,26,28,29)