8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H22ClN6O2+ MolecularWeight: 389.85928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)20-17(21-15)25-9-7-24(8-10-25)11-12-5-3-4-6-13(12)19/h3-6H,7-11H2,1-2H3,(H,20,21)/p+1