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

Systemtic Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-morpholino-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholin-4-iumylidenemethylamino)ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-morpholino-xanthine Formula: C18H28N7O4+ MolecularWeight: 406.45942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N7O4/c1-21-15-14(16(26)22(2)18(21)27)25(17(20-15)24-7-11-29-12-8-24)4-3-19-13-23-5-9-28-10-6-23/h13H,3-12H2,1-2H3/p+1