8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7H-purine-2,6-quinone Formula: C13H20N5O3+ MolecularWeight: 294.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=NC3=C(N2)C(=O)NC(=O)N3C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=NC3=C(N2)C(=O)NC(=O)N3C

InChI

InChI=1S/C13H19N5O3/c1-7-4-18(5-8(2)21-7)6-9-14-10-11(15-9)17(3)13(20)16-12(10)19/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,19,20)/p+1/t7-,8-/m0/s1