3,7-dimethyl-1-(5-oxidanylhexyl)-8-(2-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylhexyl)-8-(2-oxidanylpropylamino)purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-8-(2-hydroxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-8-(2-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-8-(2-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-8-(2-hydroxypropylamino)-3,7-dimethyl-xanthine Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC(C)O)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC(C)O)N(C1=O)C)O

InChI

InChI=1S/C16H27N5O4/c1-10(22)7-5-6-8-21-14(24)12-13(20(4)16(21)25)18-15(19(12)3)17-9-11(2)23/h10-11,22-23H,5-9H2,1-4H3,(H,17,18)