7-ethyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(1-piperidin-1-iumylmethyl)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)xanthine Formula: C15H24N5O2+ MolecularWeight: 306.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3

InChI

InChI=1S/C15H23N5O2/c1-4-20-11(10-19-8-6-5-7-9-19)16-13-12(20)14(21)18(3)15(22)17(13)2/h4-10H2,1-3H3/p+1