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

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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