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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)N4CCN(CC4)C(=O)NC(C)(C)C

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)N4CCN(CC4)C(=O)NC(C)(C)C

InChI

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