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

Systemtic Name: 1,3-dimethyl-8-(piperidin-1-ium-4-ylamino)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(piperidin-1-ium-4-ylamino)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-piperidin-1-iumylamino)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(piperidin-1-ium-4-ylamino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(piperidin-1-ium-4-ylamino)-7H-purine-2,6-quinone Formula: C12H19N6O2+ MolecularWeight: 279.31826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3CC[NH2+]CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3CC[NH2+]CC3

InChI

InChI=1S/C12H18N6O2/c1-17-9-8(10(19)18(2)12(17)20)15-11(16-9)14-7-3-5-13-6-4-7/h7,13H,3-6H2,1-2H3,(H2,14,15,16)/p+1