8-(hexylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione

Systemtic Name: 8-(hexylamino)-1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C[C@H](COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H31N5O4/c1-4-5-6-10-13-23-21-24-19-18(20(29)26(3)22(30)25(19)2)27(21)14-16(28)15-31-17-11-8-7-9-12-17/h7-9,11-12,16,28H,4-6,10,13-15H2,1-3H3,(H,23,24)/t16-/m1/s1