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

Systemtic Name: 2-methyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O/c1-4-8-19-24-20(26-11-13-27(14-12-26)22(29)16(2)3)18-15-23-28(21(18)25-19)17-9-6-5-7-10-17/h5-7,9-10,15-16H,4,8,11-14H2,1-3H3