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

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(4-morpholin-4-iumyl)ethylamino]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-7H-purine-2,6-quinone Formula: C13H21N6O3+ MolecularWeight: 309.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC[NH+]3CCOCC3

InChI

InChI=1S/C13H20N6O3/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)14-3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3,(H2,14,15,16)/p+1