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

Systemtic Name: 1-methyl-4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazino]pyrazolo[3,4-d]pyrimidine Formula: C20H22N8 MolecularWeight: 374.44228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C20H22N8/c1-25-19-18(12-23-25)20(22-15-21-19)27-9-7-26(8-10-27)13-16-11-24-28(14-16)17-5-3-2-4-6-17/h2-6,11-12,14-15H,7-10,13H2,1H3