8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-p-anisyl-xanthine Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H26N6O4/c1-14-12-15(2)28(24-14)21-23-19-18(26(21)10-11-31-4)20(29)27(22(30)25(19)3)13-16-6-8-17(32-5)9-7-16/h6-9,12H,10-11,13H2,1-5H3