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

Systemtic Name: 1,3-dimethyl-7-[3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-8-morpholino-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(4-morpholin-4-iumylidenemethylamino)propyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-8-morpholino-xanthine Formula: C19H30N7O4+ MolecularWeight: 420.486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N7O4/c1-22-16-15(17(27)23(2)19(22)28)26(18(21-16)25-8-12-30-13-9-25)5-3-4-20-14-24-6-10-29-11-7-24/h14H,3-13H2,1-2H3/p+1