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

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-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=C1OCC(CN2C3=C(N=C2NCCCO)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C3=C(N=C2NCCCO)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C20H27N5O5/c1-13-7-4-5-8-15(13)30-12-14(27)11-25-16-17(22-19(25)21-9-6-10-26)23(2)20(29)24(3)18(16)28/h4-5,7-8,14,26-27H,6,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1