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

Systemtic Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-(1-piperidin-1-iumylmethyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)xanthine Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O3/c1-18-14-13(15(22)19(2)16(18)23)21(9-10-24-3)12(17-14)11-20-7-5-4-6-8-20/h4-11H2,1-3H3/p+1