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

Systemtic Name: 8-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-quinone Formula: C17H20ClN6O2+ MolecularWeight: 375.8327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H19ClN6O2/c1-22-15-14(16(25)21-17(22)26)19-13(20-15)10-23-5-7-24(8-6-23)12-4-2-3-11(18)9-12/h2-4,9H,5-8,10H2,1H3,(H,19,20)(H,21,25,26)/p+1