4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C26H26N8 MolecularWeight: 450.53824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H26N8/c1-31-25-23(16-29-31)26(28-19-27-25)33-14-12-32(13-15-33)17-21-18-34(22-10-6-3-7-11-22)30-24(21)20-8-4-2-5-9-20/h2-11,16,18-19H,12-15,17H2,1H3