7-ethyl-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]xanthine Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C16H25N5O2/c1-5-21-12(10-20-8-6-11(2)7-9-20)17-14-13(21)15(22)19(4)16(23)18(14)3/h11H,5-10H2,1-4H3/p+1