4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[1-(2-chlorophenyl)-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[6-butan-2-yl-1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[1-(2-chlorophenyl)-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C22H28ClN7O MolecularWeight: 441.95702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)N4CCN(CC4)C(=O)NCC

Isomeric SMILES

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)N4CCN(CC4)C(=O)NCC

InChI

InChI=1S/C22H28ClN7O/c1-4-15(3)19-26-20(28-10-12-29(13-11-28)22(31)24-5-2)16-14-25-30(21(16)27-19)18-9-7-6-8-17(18)23/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,31)