8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-propyl-xanthine Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C17H27N5O3/c1-6-7-22-13(10-21-8-11(2)25-12(3)9-21)18-15-14(22)16(23)20(5)17(24)19(15)4/h11-12H,6-10H2,1-5H3/p+1/t11-,12-/m0/s1