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

Systemtic Name: 4-[4-[(3-methyl-1-benzothiophen-2-yl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-methylbenzothiophen-2-yl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-methyl-1-benzothiophen-2-yl)-phenylmethyl]-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-methyl-1-benzothiophen-2-yl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[(3-methylbenzothiophen-2-yl)-phenyl-methyl]piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C31H28N6S MolecularWeight: 516.65922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(C3=CC=CC=C3)N4CCN(CC4)C5=NC=NC6=C5C=NN6C7=CC=CC=C7

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(C3=CC=CC=C3)N4CCN(CC4)C5=NC=NC6=C5C=NN6C7=CC=CC=C7

InChI

InChI=1S/C31H28N6S/c1-22-25-14-8-9-15-27(25)38-29(22)28(23-10-4-2-5-11-23)35-16-18-36(19-17-35)30-26-20-34-37(31(26)33-21-32-30)24-12-6-3-7-13-24/h2-15,20-21,28H,16-19H2,1H3