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

Systemtic Name: 8-[[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[(2R,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-methyl-xanthine Formula: C18H30N5O3+ MolecularWeight: 364.4625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O3/c1-5-6-7-8-23-14(11-22-9-12(2)26-13(3)10-22)19-16-15(23)17(24)20-18(25)21(16)4/h12-13H,5-11H2,1-4H3,(H,20,24,25)/p+1/t12-,13+