8-ethoxy-7-ethyl-3-(phenylmethyl)purin-3-ium-6-amine

Systemtic Name: 8-ethoxy-7-ethyl-3-(phenylmethyl)purin-3-ium-6-amine Openeye Name: 3-benzyl-8-ethoxy-7-ethyl-purin-3-ium-6-amine CAS Name: 8-ethoxy-7-ethyl-3-(phenylmethyl)-6-purin-3-iumamine IUPAC Name: 3-benzyl-8-ethoxy-7-ethylpurin-3-ium-6-amine Traditional Name: (3-benzyl-8-ethoxy-7-ethyl-purin-3-ium-6-yl)amine Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C[N+](=C2N=C1OCC)CC3=CC=CC=C3)N

Isomeric SMILES

CCN1C2=C(N=C[N+](=C2N=C1OCC)CC3=CC=CC=C3)N

InChI

InChI=1S/C16H19N5O/c1-3-21-13-14(17)18-11-20(10-12-8-6-5-7-9-12)15(13)19-16(21)22-4-2/h5-9,11,17H,3-4,10H2,1-2H3/p+1