2-[1,3-dimethyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]ethylazanium

Systemtic Name: 2-[1,3-dimethyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]ethylazanium Openeye Name: 2-(1,3-dimethyl-8-morpholino-2,6-dioxo-purin-7-yl)ethylammonium CAS Name: 2-[1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-7-purinyl]ethylammonium IUPAC Name: 2-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)ethylazanium Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-morpholino-purin-7-yl)ethylammonium Formula: C13H21N6O3+ MolecularWeight: 309.34424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC[NH3+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC[NH3+]

InChI

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