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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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