1-ethoxy-9-(phenylmethyl)purin-1-ium-6-amine perchlorate

Systemtic Name: 1-ethoxy-9-(phenylmethyl)purin-1-ium-6-amine perchlorate Openeye Name: 9-benzyl-1-ethoxy-purin-1-ium-6-amine perchlorate CAS Name: 1-ethoxy-9-(phenylmethyl)-6-purin-1-iumamine perchlorate IUPAC Name: 9-benzyl-1-ethoxypurin-1-ium-6-amine perchlorate Traditional Name: (9-benzyl-1-ethoxy-purin-1-ium-6-yl)amine perchlorate Formula: C14H16ClN5O5 MolecularWeight: 369.76034

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Descriptors Computed from Structure

Canonical SMILES:

CCO[N+]1=C(C2=C(N=C1)N(C=N2)CC3=CC=CC=C3)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCO[N+]1=C(C2=C(N=C1)N(C=N2)CC3=CC=CC=C3)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H15N5O.ClHO4/c1-2-20-19-10-17-14-12(13(19)15)16-9-18(14)8-11-6-4-3-5-7-11;2-1(3,4)5/h3-7,9-10,15H,2,8H2,1H3;(H,2,3,4,5)