4-[2-(4-chloranylphenoxy)ethyl]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-5-ium-9-one

Systemtic Name: 4-[2-(4-chloranylphenoxy)ethyl]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-5-ium-9-one Openeye Name: 4-[2-(4-chlorophenoxy)ethyl]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-5-ium-9-one CAS Name: 4-[2-(4-chlorophenoxy)ethyl]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-5-ium-9-one IUPAC Name: 4-[2-(4-chlorophenoxy)ethyl]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-5-ium-9-one Traditional Name: 4-[2-(4-chlorophenoxy)ethyl]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]purin-5-ium-9-one Formula: C16H17ClN5O2+ MolecularWeight: 346.79148

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2N(CC1)C(=O)C3=C(N2CCOC4=CC=C(C=C4)Cl)N=CN3

Isomeric SMILES

C[N+]1=C2N(CC1)C(=O)C3=C(N2CCOC4=CC=C(C=C4)Cl)N=CN3

InChI

InChI=1S/C16H16ClN5O2/c1-20-6-7-22-15(23)13-14(19-10-18-13)21(16(20)22)8-9-24-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3/p+1