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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-phenethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-methoxyethyl)-3-methyl-1-phenethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-phenethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-phenethyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O3/c1-15-14-16(2)28(24-15)21-23-19-18(26(21)12-13-31-4)20(29)27(22(30)25(19)3)11-10-17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3