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

Systemtic Name: 1,3-dimethyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCO)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCCO)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C20H27N5O5/c1-13-6-4-7-15(10-13)30-12-14(27)11-25-16-17(22-19(25)21-8-5-9-26)23(2)20(29)24(3)18(16)28/h4,6-7,10,14,26-27H,5,8-9,11-12H2,1-3H3,(H,21,22)/t14-/m1/s1