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

Systemtic Name: 1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]pentan-1-one Formula: C25H34N6O MolecularWeight: 434.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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