N-cyclopropyl-3-[6-(2-fluoranyl-3-methoxy-phenyl)purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-(2-fluoranyl-3-methoxy-phenyl)purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(2-fluoro-3-methoxy-phenyl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(2-fluoro-3-methoxyphenyl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(2-fluoro-3-methoxyphenyl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(2-fluoro-3-methoxy-phenyl)purin-9-yl]-4-methyl-benzamide Formula: C23H20FN5O2 MolecularWeight: 417.435603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=C(C(=CC=C5)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=C(C(=CC=C5)OC)F

InChI

InChI=1S/C23H20FN5O2/c1-13-6-7-14(23(30)28-15-8-9-15)10-17(13)29-12-27-21-20(25-11-26-22(21)29)16-4-3-5-18(31-2)19(16)24/h3-7,10-12,15H,8-9H2,1-2H3,(H,28,30)