2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; piperidin-1-ium

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; piperidin-1-ium Openeye Name: 2-(3-methyl-2,6-dioxo-purin-7-yl)acetate; piperidin-1-ium CAS Name: 2-(3-methyl-2,6-dioxo-7-purinyl)acetate; piperidin-1-ium IUPAC Name: 2-(3-methyl-2,6-dioxopurin-7-yl)acetate; piperidin-1-ium Traditional Name: 2-(2,6-diketo-3-methyl-purin-7-yl)acetate; piperidin-1-ium Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C8H8N4O4.C5H11N/c1-11-6-5(7(15)10-8(11)16)12(3-9-6)2-4(13)14;1-2-4-6-5-3-1/h3H,2H2,1H3,(H,13,14)(H,10,15,16);6H,1-5H2