7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-3-methyl-8-morpholino-xanthine Formula: C13H18ClN5O4 MolecularWeight: 343.76612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(CCl)O

InChI

InChI=1S/C13H18ClN5O4/c1-17-10-9(11(21)16-13(17)22)19(7-8(20)6-14)12(15-10)18-2-4-23-5-3-18/h8,20H,2-7H2,1H3,(H,16,21,22)