8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-phenethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-phenethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-ethoxyethyl)-3-methyl-1-phenethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-phenethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-phenethyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O3/c1-5-32-14-13-27-19-20(24-22(27)29-17(3)15-16(2)25-29)26(4)23(31)28(21(19)30)12-11-18-9-7-6-8-10-18/h6-10,15H,5,11-14H2,1-4H3