8-bromanyl-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)xanthine Formula: C13H19BrN5O3+ MolecularWeight: 373.22566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC[NH+]3CCOCC3

InChI

InChI=1S/C13H18BrN5O3/c1-16-10-9(11(20)17(2)13(16)21)19(12(14)15-10)4-3-18-5-7-22-8-6-18/h3-8H2,1-2H3/p+1