2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one

Systemtic Name: 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one Openeye Name: 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one CAS Name: 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]-8-purinone IUPAC Name: 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one Traditional Name: 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-o-anisyl-purin-8-one Formula: C22H20FN5O2 MolecularWeight: 405.424903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C3=CN=C(N=C3N(C2=O)C4=CC(=CC=C4)F)NC5CC5

Isomeric SMILES

COC1=CC=CC=C1CN2C3=CN=C(N=C3N(C2=O)C4=CC(=CC=C4)F)NC5CC5

InChI

InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26)