N-tert-butyl-4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-tert-butyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-tert-butylpiperazine-1-carboxamide Traditional Name: 4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-tert-butyl-piperazine-1-carboxamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N7O/c1-27(2,3)31-26(35)33-16-14-32(15-17-33)24-22-19-28-34(21-12-8-5-9-13-21)25(22)30-23(29-24)18-20-10-6-4-7-11-20/h4-13,19H,14-18H2,1-3H3,(H,31,35)