6-azanyl-9-[(4-fluorophenyl)methyl]-2-(pyridin-4-ylmethylamino)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[(4-fluorophenyl)methyl]-2-(pyridin-4-ylmethylamino)-7H-purin-8-one Openeye Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(4-pyridylmethylamino)-7H-purin-8-one CAS Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(pyridin-4-ylmethylamino)-7H-purin-8-one IUPAC Name: 6-amino-9-[(4-fluorophenyl)methyl]-2-(pyridin-4-ylmethylamino)-7H-purin-8-one Traditional Name: 6-amino-9-(4-fluorobenzyl)-2-(4-pyridylmethylamino)-7H-purin-8-one Formula: C18H16FN7O MolecularWeight: 365.364343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C(=NC(=N3)NCC4=CC=NC=C4)N)NC2=O)F

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C(=NC(=N3)NCC4=CC=NC=C4)N)NC2=O)F

InChI

InChI=1S/C18H16FN7O/c19-13-3-1-12(2-4-13)10-26-16-14(23-18(26)27)15(20)24-17(25-16)22-9-11-5-7-21-8-6-11/h1-8H,9-10H2,(H,23,27)(H3,20,22,24,25)