1-[2-fluoranyl-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one

Systemtic Name: 1-[2-fluoranyl-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one Openeye Name: 1-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one CAS Name: 1-[2-fluoro-4-[2-(1-pyrrolidinylmethyl)phenyl]phenyl]-7-(4-methoxyphenyl)-6-purinone IUPAC Name: 1-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one Traditional Name: 1-[2-fluoro-4-[2-(pyrrolidinomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one Formula: C29H26FN5O2 MolecularWeight: 495.547443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2C(=O)N(C=N3)C4=C(C=C(C=C4)C5=CC=CC=C5CN6CCCC6)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2C(=O)N(C=N3)C4=C(C=C(C=C4)C5=CC=CC=C5CN6CCCC6)F

InChI

InChI=1S/C29H26FN5O2/c1-37-23-11-9-22(10-12-23)34-18-31-28-27(34)29(36)35(19-32-28)26-13-8-20(16-25(26)30)24-7-3-2-6-21(24)17-33-14-4-5-15-33/h2-3,6-13,16,18-19H,4-5,14-15,17H2,1H3