8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-[2-(1-piperidin-1-iumyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-piperidin-1-ium-1-ylethyl)xanthine Formula: C19H28N7O2+ MolecularWeight: 386.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C19H27N7O2/c1-13-12-14(2)26(21-13)18-20-16-15(22(18)3)17(27)25(19(28)23(16)4)11-10-24-8-6-5-7-9-24/h12H,5-11H2,1-4H3/p+1