4-[(4-chlorophenyl)methyl]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]purin-5-ium-9-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]purin-5-ium-9-one Openeye Name: 4-[(4-chlorophenyl)methyl]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]purin-5-ium-9-one CAS Name: 4-[(4-chlorophenyl)methyl]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]purin-5-ium-9-one IUPAC Name: 4-[(4-chlorophenyl)methyl]-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]purin-5-ium-9-one Traditional Name: 4-(4-chlorobenzyl)-1,5-dimethyl-6,7-dihydroimidazo[1,2-a]purin-5-ium-9-one Formula: C16H17ClN5O+ MolecularWeight: 330.79208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N3CC[N+](=C3N2CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N3CC[N+](=C3N2CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C16H17ClN5O/c1-19-7-8-21-15(23)13-14(18-10-20(13)2)22(16(19)21)9-11-3-5-12(17)6-4-11/h3-6,10H,7-9H2,1-2H3/q+1