7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-8-(hexylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-8-(hexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-8-(hexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-8-(hexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-8-(hexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-8-(hexylamino)-3-methyl-xanthine Formula: C23H33N5O4 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4/c1-4-6-7-8-12-24-22-25-20-19(21(30)26-23(31)27(20)3)28(22)14-17(29)15-32-18-11-9-10-16(5-2)13-18/h9-11,13,17,29H,4-8,12,14-15H2,1-3H3,(H,24,25)(H,26,30,31)/t17-/m1/s1