7-[(2-chlorophenyl)methyl]-8-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-ylidene]-3-methyl-5H-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-ylidene]-3-methyl-5H-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazin-1-ium-1-ylidene]-3-methyl-5H-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumylidene]-3-methyl-5H-purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazin-1-ium-1-ylidene]-3-methyl-5H-purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[4-(2-furoyl)piperazin-1-ium-1-ylidene]-3-methyl-5H-purine-2,6-quinone Formula: C22H22ClN6O4+ MolecularWeight: 469.90088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+]3CCN(CC3)C(=O)C4=CC=CO4)N(C2C(=O)NC1=O)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=NC(=[N+]3CCN(CC3)C(=O)C4=CC=CO4)N(C2C(=O)NC1=O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C22H21ClN6O4/c1-26-18-17(19(30)25-22(26)32)29(13-14-5-2-3-6-15(14)23)21(24-18)28-10-8-27(9-11-28)20(31)16-7-4-12-33-16/h2-7,12,17H,8-11,13H2,1H3/p+1