7-(3-chloranyl-2-oxidanyl-propyl)-1-methyl-3-(2-methylpropyl)-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-1-methyl-3-(2-methylpropyl)-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-3-isobutyl-1-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-1-methyl-3-(2-methylpropyl)-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-1-methyl-3-(2-methylpropyl)-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-3-isobutyl-1-methyl-8-morpholino-xanthine Formula: C17H26ClN5O4 MolecularWeight: 399.87244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(CCl)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(CCl)O

InChI

InChI=1S/C17H26ClN5O4/c1-11(2)9-23-14-13(15(25)20(3)17(23)26)22(10-12(24)8-18)16(19-14)21-4-6-27-7-5-21/h11-12,24H,4-10H2,1-3H3