1-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 1-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 1-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 1-cyclohexyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-cyclohexyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: (1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)-[4-(4-methylpiperazino)phenyl]amine Formula: C22H29N7 MolecularWeight: 391.51256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=NN(C4=N3)C5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=NN(C4=N3)C5CCCCC5

InChI

InChI=1S/C22H29N7/c1-27-11-13-28(14-12-27)19-9-7-18(8-10-19)25-22-23-15-17-16-24-29(21(17)26-22)20-5-3-2-4-6-20/h7-10,15-16,20H,2-6,11-14H2,1H3,(H,23,25,26)