1-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-[4-(phenylmethyl)piperazin-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-[4-(phenylmethyl)-1-piperazinyl]-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazino)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C25H28N6 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N6/c1-2-9-23-27-24(22-18-26-31(25(22)28-23)21-12-7-4-8-13-21)30-16-14-29(15-17-30)19-20-10-5-3-6-11-20/h3-8,10-13,18H,2,9,14-17,19H2,1H3