3-[4-[[2,6-bis(chloranyl)phenyl]methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[(2,6-dichlorophenyl)methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[(2,6-dichlorophenyl)methylamino]phenyl]-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-[(2,6-dichlorophenyl)methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-(2,6-dichlorobenzyl)amine Formula: C29H34Cl2N8 MolecularWeight: 565.53986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=C(C=CC=C6Cl)Cl)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=C(C=CC=C6Cl)Cl)C(=NC=N4)N

InChI

InChI=1S/C29H34Cl2N8/c1-37-13-15-38(16-14-37)21-9-11-22(12-10-21)39-29-26(28(32)34-18-35-29)27(36-39)19-5-7-20(8-6-19)33-17-23-24(30)3-2-4-25(23)31/h2-8,18,21-22,33H,9-17H2,1H3,(H2,32,34,35)