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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=C(N2CC(CCl)O)N3CCOCC3)N(C1=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=C(N2CC(CCl)O)N3CCOCC3)N(C1=O)C

InChI

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