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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

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