N-[(1S)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-7H-purin-6-amine

Systemtic Name: N-[(1S)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-7H-purin-6-amine Openeye Name: N-[(1S)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-7H-purin-6-amine CAS Name: N-[(1S)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-7H-purin-6-amine IUPAC Name: N-[(1S)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-7H-purin-6-amine Traditional Name: [(1S)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-(7H-purin-6-yl)amine Formula: C17H18N7+ MolecularWeight: 320.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC[N+]2=CNC=C2)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC[N+]2=CNC=C2)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H17N7/c1-2-4-13(5-3-1)14(6-8-24-9-7-18-12-24)23-17-15-16(20-10-19-15)21-11-22-17/h1-5,7,9-12,14H,6,8H2,(H2,19,20,21,22,23)/p+1/t14-/m0/s1