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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]xanthine Formula: C15H23BrN5O2+ MolecularWeight: 385.27942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C15H22BrN5O2/c1-10-4-6-20(7-5-10)8-9-21-11-12(17-14(21)16)18(2)15(23)19(3)13(11)22/h10H,4-9H2,1-3H3/p+1