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

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCO)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C3=C(N=C2NCCO)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C19H25N5O5/c1-12-6-4-5-7-14(12)29-11-13(26)10-24-15-16(21-18(24)20-8-9-25)22(2)19(28)23(3)17(15)27/h4-7,13,25-26H,8-11H2,1-3H3,(H,20,21)/t13-/m0/s1