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

Systemtic Name: 3-[6-[2,3-bis(fluoranyl)phenyl]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(2,3-difluorophenyl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(2,3-difluorophenyl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(2,3-difluorophenyl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(2,3-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(=CC=C5)F)F

Isomeric SMILES

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

InChI

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