3-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-phenyl-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-phenyl-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C27H30N6O MolecularWeight: 454.5667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O/c1-2-9-24-29-26(23-20-28-33(27(23)30-24)22-12-7-4-8-13-22)32-18-16-31(17-19-32)25(34)15-14-21-10-5-3-6-11-21/h3-8,10-13,20H,2,9,14-19H2,1H3