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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H27N5O3/c1-10(2)22-13(9-21-7-11(3)25-12(4)8-21)18-15-14(22)16(23)20(6)17(24)19(15)5/h10-12H,7-9H2,1-6H3/p+1/t11-,12-/m1/s1