N-(3-imidazol-1-ylpropyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N-[3-(1-imidazolyl)propyl]-1-methyl-4-(4-phenyl-1-piperazinyl)-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: 3-imidazol-1-ylpropyl-[1-methyl-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H27N9 MolecularWeight: 417.51008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCCCN3C=CN=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCCCN3C=CN=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H27N9/c1-28-20-19(16-25-28)21(27-22(26-20)24-8-5-10-29-11-9-23-17-29)31-14-12-30(13-15-31)18-6-3-2-4-7-18/h2-4,6-7,9,11,16-17H,5,8,10,12-15H2,1H3,(H,24,26,27)