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

Systemtic Name: 1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperidin-1-iumylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)-7-propyl-xanthine Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3

InChI

InChI=1S/C16H25N5O2/c1-4-8-21-12(11-20-9-6-5-7-10-20)17-14-13(21)15(22)19(3)16(23)18(14)2/h4-11H2,1-3H3/p+1