1,3-dimethyl-7-[(2S)-3-(morpholin-4-ium-4-ylidenemethylamino)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(morpholin-4-ium-4-ylidenemethylamino)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-morpholin-4-iumylidenemethylamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(morpholin-4-ium-4-ylidenemethylamino)propyl]-1,3-dimethyl-xanthine Formula: C15H23N6O4+ MolecularWeight: 351.38092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O4/c1-18-13-12(14(23)19(2)15(18)24)21(10-17-13)8-11(22)7-16-9-20-3-5-25-6-4-20/h9-11,22H,3-8H2,1-2H3/p+1/t11-/m0/s1