3-[1-[4-[2-(dimethylaminomethyl)phenyl]-2-fluoranyl-phenyl]-6-oxidanylidene-purin-7-yl]benzamide

Systemtic Name: 3-[1-[4-[2-(dimethylaminomethyl)phenyl]-2-fluoranyl-phenyl]-6-oxidanylidene-purin-7-yl]benzamide Openeye Name: 3-[1-[4-[2-(dimethylaminomethyl)phenyl]-2-fluoro-phenyl]-6-oxo-purin-7-yl]benzamide CAS Name: 3-[1-[4-[2-(dimethylaminomethyl)phenyl]-2-fluorophenyl]-6-oxo-7-purinyl]benzamide IUPAC Name: 3-[1-[4-[2-(dimethylaminomethyl)phenyl]-2-fluorophenyl]-6-oxopurin-7-yl]benzamide Traditional Name: 3-[1-[4-[2-(dimethylaminomethyl)phenyl]-2-fluoro-phenyl]-6-keto-purin-7-yl]benzamide Formula: C27H23FN6O2 MolecularWeight: 482.508923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1C2=CC(=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=CC(=C5)C(=O)N)F

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC(=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=CC(=C5)C(=O)N)F

InChI

InChI=1S/C27H23FN6O2/c1-32(2)14-19-6-3-4-9-21(19)17-10-11-23(22(28)13-17)34-16-31-26-24(27(34)36)33(15-30-26)20-8-5-7-18(12-20)25(29)35/h3-13,15-16H,14H2,1-2H3,(H2,29,35)