N-[9-[(4-fluorophenyl)methyl]-8-(pyridin-2-ylcarbonylamino)purin-6-yl]pyridine-2-carboxamide

Systemtic Name: N-[9-[(4-fluorophenyl)methyl]-8-(pyridin-2-ylcarbonylamino)purin-6-yl]pyridine-2-carboxamide Openeye Name: N-[9-[(4-fluorophenyl)methyl]-8-(pyridine-2-carbonylamino)purin-6-yl]pyridine-2-carboxamide CAS Name: N-[9-[(4-fluorophenyl)methyl]-8-[[oxo(2-pyridinyl)methyl]amino]-6-purinyl]-2-pyridinecarboxamide IUPAC Name: N-[9-[(4-fluorophenyl)methyl]-8-(pyridine-2-carbonylamino)purin-6-yl]pyridine-2-carboxamide Traditional Name: N-[9-(4-fluorobenzyl)-8-picolinamido-purin-6-yl]picolinamide Formula: C24H17FN8O2 MolecularWeight: 468.442583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)NC2=NC=NC3=C2N=C(N3CC4=CC=C(C=C4)F)NC(=O)C5=CC=CC=N5

Isomeric SMILES

C1=CC=NC(=C1)C(=O)NC2=NC=NC3=C2N=C(N3CC4=CC=C(C=C4)F)NC(=O)C5=CC=CC=N5

InChI

InChI=1S/C24H17FN8O2/c25-16-9-7-15(8-10-16)13-33-21-19(30-24(33)32-23(35)18-6-2-4-12-27-18)20(28-14-29-21)31-22(34)17-5-1-3-11-26-17/h1-12,14H,13H2,(H,30,32,35)(H,28,29,31,34)