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

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholino-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)-8-morpholino-xanthine Formula: C17H27N6O4+ MolecularWeight: 379.43408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC[NH+]4CCOCC4

InChI

InChI=1S/C17H26N6O4/c1-19-14-13(15(24)20(2)17(19)25)23(4-3-21-5-9-26-10-6-21)16(18-14)22-7-11-27-12-8-22/h3-12H2,1-2H3/p+1