3-methyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-(1-piperidin-1-iumyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)xanthine Formula: C13H20N5O2+ MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC[NH+]3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC[NH+]3CCCCC3

InChI

InChI=1S/C13H19N5O2/c1-16-11-10(12(19)15-13(16)20)18(9-14-11)8-7-17-5-3-2-4-6-17/h9H,2-8H2,1H3,(H,15,19,20)/p+1