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

Systemtic Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholin-4-iumylidenemethylamino)ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(morpholin-4-ium-4-ylidenemethylamino)ethyl]-8-piperidino-xanthine Formula: C19H30N7O3+ MolecularWeight: 404.4866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCNC=[N+]4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCNC=[N+]4CCOCC4

InChI

InChI=1S/C19H29N7O3/c1-22-16-15(17(27)23(2)19(22)28)26(18(21-16)25-7-4-3-5-8-25)9-6-20-14-24-10-12-29-13-11-24/h14H,3-13H2,1-2H3/p+1