8-chloranyl-1,3-dimethyl-7-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-1,3-dimethyl-xanthine Formula: C24H26ClN6O3+ MolecularWeight: 481.95464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H25ClN6O3/c1-27-21-20(22(33)28(2)24(27)34)31(23(25)26-21)15-19(32)30-12-10-29(11-13-30)14-17-8-5-7-16-6-3-4-9-18(16)17/h3-9H,10-15H2,1-2H3/p+1