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

Systemtic Name: 7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(1,3-diphenyl-4-pyrazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O2/c1-26-21-20(22(30)27(2)23(26)31)28(15-24-21)13-17-14-29(18-11-7-4-8-12-18)25-19(17)16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3