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

Systemtic Name: 3,7-dimethyl-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-3,7-dimethyl-xanthine Formula: C24H27N6O3+ MolecularWeight: 447.50958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H26N6O3/c1-26-16-25-22-21(26)23(32)30(24(33)27(22)2)15-20(31)29-12-10-28(11-13-29)14-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16H,10-15H2,1-2H3/p+1