2-[(6-aminopurin-9-yl)methyl]-5-chloranyl-3-(2-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloranyl-3-(2-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-fluorophenyl)quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-fluorophenyl)quinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-5-chloro-3-(2-fluorophenyl)quinazolin-4-one Formula: C20H13ClFN7O MolecularWeight: 421.814923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CN4C=NC5=C4N=CN=C5N)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CN4C=NC5=C4N=CN=C5N)F

InChI

InChI=1S/C20H13ClFN7O/c21-11-4-3-6-13-16(11)20(30)29(14-7-2-1-5-12(14)22)15(27-13)8-28-10-26-17-18(23)24-9-25-19(17)28/h1-7,9-10H,8H2,(H2,23,24,25)