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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)CC

InChI

InChI=1S/C22H26N6O3/c1-6-15-12-16(7-2)28(24-15)21-23-19-18(20(29)26(4)22(30)25(19)3)27(21)13-14-8-10-17(31-5)11-9-14/h8-12H,6-7,13H2,1-5H3