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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)CC

InChI

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