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

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloranyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-isopropylphenyl)quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-chloro-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-5-chloro-3-o-cumenyl-quinazolin-4-one Formula: C23H20ClN7O MolecularWeight: 445.9042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C23H20ClN7O/c1-13(2)14-6-3-4-9-17(14)31-18(29-16-8-5-7-15(24)19(16)23(31)32)10-30-12-28-20-21(25)26-11-27-22(20)30/h3-9,11-13H,10H2,1-2H3,(H2,25,26,27)