2-(cyclopropylamino)-7-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)purin-8-one

Systemtic Name: 2-(cyclopropylamino)-7-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)purin-8-one Openeye Name: 2-(cyclopropylamino)-7-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)purin-8-one CAS Name: 2-(cyclopropylamino)-7-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)-8-purinone IUPAC Name: 2-(cyclopropylamino)-7-[(4-fluorophenyl)methyl]-9-(2-methoxyphenyl)purin-8-one Traditional Name: 2-(cyclopropylamino)-7-(4-fluorobenzyl)-9-(2-methoxyphenyl)purin-8-one Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC=C3N(C2=O)CC4=CC=C(C=C4)F)NC5CC5

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC=C3N(C2=O)CC4=CC=C(C=C4)F)NC5CC5

InChI

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