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

Systemtic Name: 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-yl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-methyl-2-thiophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[(3-methyl-2-thienyl)-(2-pyridyl)methyl]piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C26H25N7S MolecularWeight: 467.5886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=N2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=N2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C26H25N7S/c1-19-10-16-34-24(19)23(22-9-5-6-11-27-22)31-12-14-32(15-13-31)25-21-17-30-33(26(21)29-18-28-25)20-7-3-2-4-8-20/h2-11,16-18,23H,12-15H2,1H3