2-(cyclopropylamino)-7-[(2-fluoranyl-6-methoxy-phenyl)methyl]-9-(3-methoxyphenyl)purin-8-one

Systemtic Name: 2-(cyclopropylamino)-7-[(2-fluoranyl-6-methoxy-phenyl)methyl]-9-(3-methoxyphenyl)purin-8-one Openeye Name: 2-(cyclopropylamino)-7-[(2-fluoro-6-methoxy-phenyl)methyl]-9-(3-methoxyphenyl)purin-8-one CAS Name: 2-(cyclopropylamino)-7-[(2-fluoro-6-methoxyphenyl)methyl]-9-(3-methoxyphenyl)-8-purinone IUPAC Name: 2-(cyclopropylamino)-7-[(2-fluoro-6-methoxyphenyl)methyl]-9-(3-methoxyphenyl)purin-8-one Traditional Name: 2-(cyclopropylamino)-7-(2-fluoro-6-methoxy-benzyl)-9-(3-methoxyphenyl)purin-8-one Formula: C23H22FN5O3 MolecularWeight: 435.450883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)F)CN2C3=CN=C(N=C3N(C2=O)C4=CC(=CC=C4)OC)NC5CC5

Isomeric SMILES

COC1=C(C(=CC=C1)F)CN2C3=CN=C(N=C3N(C2=O)C4=CC(=CC=C4)OC)NC5CC5

InChI

InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27)