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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1CC(COC3=CC=CC=C3C)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)11-28-14-9-7-6-8-12(14)2/h6-9,13,25H,5,10-11H2,1-4H3,(H,20,21)