1,3-dimethyl-7-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-piperidin-1-iumylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(piperidin-1-ium-1-ylmethyl)xanthine Formula: C13H20N5O2+ MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[NH+]3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[NH+]3CCCCC3

InChI

InChI=1S/C13H19N5O2/c1-15-11-10(12(19)16(2)13(15)20)18(8-14-11)9-17-6-4-3-5-7-17/h8H,3-7,9H2,1-2H3/p+1