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

Systemtic Name: 8-chloranyl-7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(1,3-diphenyl-4-pyrazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(1,3-diphenylpyrazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C23H19ClN6O2 MolecularWeight: 446.88896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN6O2/c1-27-20-19(21(31)28(2)23(27)32)29(22(24)25-20)13-16-14-30(17-11-7-4-8-12-17)26-18(16)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3