7-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-8-(ethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-8-(ethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-8-(ethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-8-(ethylamino)-3-methyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COC3=CC(=C(C=C3)C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1C[C@H](COC3=CC(=C(C=C3)C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H25N5O4/c1-5-20-18-21-16-15(17(26)22-19(27)23(16)4)24(18)9-13(25)10-28-14-7-6-11(2)12(3)8-14/h6-8,13,25H,5,9-10H2,1-4H3,(H,20,21)(H,22,26,27)/t13-/m1/s1