7-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C24H22N6O3 MolecularWeight: 442.46988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C24H22N6O3/c1-27-22-21(23(31)28(2)24(27)32)29(15-25-22)13-17-14-30(18-7-5-4-6-8-18)26-20(17)16-9-11-19(33-3)12-10-16/h4-12,14-15H,13H2,1-3H3