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

Systemtic Name: 8-(hexylamino)-1,3-dimethyl-7-[(2R)-3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(hexylamino)-7-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C23H33N5O4 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C[C@H](COC3=CC=CC=C3C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H33N5O4/c1-5-6-7-10-13-24-22-25-20-19(21(30)27(4)23(31)26(20)3)28(22)14-17(29)15-32-18-12-9-8-11-16(18)2/h8-9,11-12,17,29H,5-7,10,13-15H2,1-4H3,(H,24,25)/t17-/m1/s1