1-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-(4-pyridylmethyl)-6,7-dihydropurine-8-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-(4-pyridylmethyl)-6,7-dihydropurine-8-carboxamide Formula: C19H17FN6O MolecularWeight: 364.376283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=CN1CC3=CC=C(C=C3)F)N=C(N2)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1C2=C(N=CN1CC3=CC=C(C=C3)F)N=C(N2)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C19H17FN6O/c20-15-3-1-14(2-4-15)10-26-11-16-17(23-12-26)25-18(24-16)19(27)22-9-13-5-7-21-8-6-13/h1-8,12H,9-11H2,(H,22,27)(H,24,25)