2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; morpholin-4-ium

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; morpholin-4-ium Openeye Name: 2-(3-methyl-2,6-dioxo-purin-7-yl)acetate; morpholin-4-ium CAS Name: 2-(3-methyl-2,6-dioxo-7-purinyl)acetate; morpholin-4-ium IUPAC Name: 2-(3-methyl-2,6-dioxopurin-7-yl)acetate; morpholin-4-ium Traditional Name: 2-(2,6-diketo-3-methyl-purin-7-yl)acetate; morpholin-4-ium Formula: C12H17N5O5 MolecularWeight: 311.29388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)[O-].C1COCC[NH2+]1

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)[O-].C1COCC[NH2+]1

InChI

InChI=1S/C8H8N4O4.C4H9NO/c1-11-6-5(7(15)10-8(11)16)12(3-9-6)2-4(13)14;1-3-6-4-2-5-1/h3H,2H2,1H3,(H,13,14)(H,10,15,16);5H,1-4H2