9-(2-chloroethyl)-3-(phenylmethyl)-7,8-dihydroimidazo[2,1-f]purin-6-ium

Systemtic Name: 9-(2-chloroethyl)-3-(phenylmethyl)-7,8-dihydroimidazo[2,1-f]purin-6-ium Openeye Name: 3-benzyl-9-(2-chloroethyl)-7,8-dihydroimidazo[2,1-f]purin-6-ium CAS Name: 9-(2-chloroethyl)-3-(phenylmethyl)-7,8-dihydroimidazo[2,1-f]purin-6-ium IUPAC Name: 3-benzyl-9-(2-chloroethyl)-7,8-dihydroimidazo[2,1-f]purin-6-ium Traditional Name: 3-benzyl-9-(2-chloroethyl)-7,8-dihydroimidazo[2,1-f]purin-6-ium Formula: C16H17ClN5+ MolecularWeight: 314.79268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(N1CCCl)C3=C(N=C2)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[N+]2=C(N1CCCl)C3=C(N=C2)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C16H17ClN5/c17-6-7-20-8-9-21-12-19-15-14(16(20)21)18-11-22(15)10-13-4-2-1-3-5-13/h1-5,11-12H,6-10H2/q+1