1-[(3-fluorophenyl)methoxy]-9-(phenylmethyl)purin-1-ium-6-amine perchlorate

Systemtic Name: 1-[(3-fluorophenyl)methoxy]-9-(phenylmethyl)purin-1-ium-6-amine perchlorate Openeye Name: 9-benzyl-1-[(3-fluorophenyl)methoxy]purin-1-ium-6-amine perchlorate CAS Name: 1-[(3-fluorophenyl)methoxy]-9-(phenylmethyl)-6-purin-1-iumamine perchlorate IUPAC Name: 9-benzyl-1-[(3-fluorophenyl)methoxy]purin-1-ium-6-amine perchlorate Traditional Name: [9-benzyl-1-(3-fluorobenzyl)oxy-purin-1-ium-6-yl]amine perchlorate Formula: C19H17ClFN5O5 MolecularWeight: 449.820183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C[N+](=C3N)OCC4=CC(=CC=C4)F.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C[N+](=C3N)OCC4=CC(=CC=C4)F.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H16FN5O.ClHO4/c20-16-8-4-7-15(9-16)11-26-25-13-23-19-17(18(25)21)22-12-24(19)10-14-5-2-1-3-6-14;2-1(3,4)5/h1-9,12-13,21H,10-11H2;(H,2,3,4,5)