4-[4-[(4-methylphenyl)-thiophen-2-yl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(4-methylphenyl)-thiophen-2-yl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-[4-[p-tolyl(2-thienyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-methylphenyl)-thiophen-2-ylmethyl]-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-methylphenyl)-thiophen-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-[4-[p-tolyl(2-thienyl)methyl]piperazino]pyrazolo[3,4-d]pyrimidine Formula: C27H26N6S MolecularWeight: 466.60054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C27H26N6S/c1-20-9-11-21(12-10-20)25(24-8-5-17-34-24)31-13-15-32(16-14-31)26-23-18-30-33(27(23)29-19-28-26)22-6-3-2-4-7-22/h2-12,17-19,25H,13-16H2,1H3