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

Systemtic Name: 3-[6-[2,4-bis(fluoranyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(2,4-difluorophenyl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(2,4-difluorophenyl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(2,4-difluorophenyl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(2,4-difluorophenyl)purin-9-yl]-4-methyl-benzamide Formula: C22H17F2N5O MolecularWeight: 405.400086

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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=C(C=C5)F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H17F2N5O/c1-12-2-3-13(22(30)28-15-5-6-15)8-18(12)29-11-27-20-19(25-10-26-21(20)29)16-7-4-14(23)9-17(16)24/h2-4,7-11,15H,5-6H2,1H3,(H,28,30)