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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7H-purine-2,6-quinone Formula: C12H18N5O3+ MolecularWeight: 280.30302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3/c1-15-10-9(11(18)16(2)12(15)19)13-8(14-10)7-17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,13,14)/p+1