8-[[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C25H24ClN7O2 MolecularWeight: 489.95676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN7O2/c1-30(15-20-27-22-23(28-20)31(2)25(35)32(3)24(22)34)13-17-14-33(19-7-5-4-6-8-19)29-21(17)16-9-11-18(26)12-10-16/h4-12,14H,13,15H2,1-3H3,(H,27,28)