4-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-phenethylpiperazine-2,6-dione Traditional Name: 4-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1-phenethyl-piperazine-2,6-quinone Formula: C23H19ClN6O2 MolecularWeight: 446.88896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1C(=O)N(C(=O)CN1C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C23H19ClN6O2/c24-17-6-8-18(9-7-17)30-23-19(12-27-30)22(25-15-26-23)28-13-20(31)29(21(32)14-28)11-10-16-4-2-1-3-5-16/h1-9,12,15H,10-11,13-14H2