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

Systemtic Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]heptan-1-one Formula: C25H34N6O MolecularWeight: 434.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

InChI

InChI=1S/C25H34N6O/c1-3-5-6-10-14-23(32)29-15-17-30(18-16-29)24-21-19-26-31(20-12-8-7-9-13-20)25(21)28-22(27-24)11-4-2/h7-9,12-13,19H,3-6,10-11,14-18H2,1-2H3