3-(4-phenoxyphenyl)-1-(4-piperazin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-phenoxyphenyl)-1-(4-piperazin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-phenoxyphenyl)-1-(4-piperazin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-phenoxyphenyl)-1-[4-(1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-phenoxyphenyl)-1-(4-piperazin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-phenoxyphenyl)-1-(4-piperazinocyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCNCC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

C1CC(CCC1N2CCNCC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C27H31N7O/c28-26-24-25(19-6-12-23(13-7-19)35-22-4-2-1-3-5-22)32-34(27(24)31-18-30-26)21-10-8-20(9-11-21)33-16-14-29-15-17-33/h1-7,12-13,18,20-21,29H,8-11,14-17H2,(H2,28,30,31)