N-cyclopropyl-3-[6-(3-fluoranylpiperidin-1-yl)purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-(3-fluoranylpiperidin-1-yl)purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(3-fluoro-1-piperidyl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(3-fluoro-1-piperidinyl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(3-fluoropiperidin-1-yl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(3-fluoropiperidino)purin-9-yl]-4-methyl-benzamide Formula: C21H23FN6O MolecularWeight: 394.445323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC(C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC(C5)F

InChI

InChI=1S/C21H23FN6O/c1-13-4-5-14(21(29)26-16-6-7-16)9-17(13)28-12-25-18-19(23-11-24-20(18)28)27-8-2-3-15(22)10-27/h4-5,9,11-12,15-16H,2-3,6-8,10H2,1H3,(H,26,29)