7-[(2R)-2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2R)-2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C15H24N5O5+ MolecularWeight: 354.38156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)C[C@H](CO)O

InChI

InChI=1S/C15H23N5O5/c1-17-13-12(14(23)18(2)15(17)24)20(7-10(22)9-21)11(16-13)8-19-3-5-25-6-4-19/h10,21-22H,3-9H2,1-2H3/p+1/t10-/m1/s1