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

Systemtic Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H32N5O3+ MolecularWeight: 378.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C19H31N5O3/c1-6-7-8-9-24-15(12-23-10-13(2)27-14(3)11-23)20-17-16(24)18(25)22(5)19(26)21(17)4/h13-14H,6-12H2,1-5H3/p+1/t13-,14-/m0/s1