2-[[[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]methyl]benzonitrile CAS Name: 2-[[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]anilino]methyl]benzonitrile IUPAC Name: 2-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]methyl]benzonitrile Traditional Name: 2-[[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]anilino]methyl]benzonitrile Formula: C30H35N9 MolecularWeight: 521.6592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=CC=CC=C6C#N)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=CC=CC=C6C#N)C(=NC=N4)N

InChI

InChI=1S/C30H35N9/c1-37-14-16-38(17-15-37)25-10-12-26(13-11-25)39-30-27(29(32)34-20-35-30)28(36-39)21-6-8-24(9-7-21)33-19-23-5-3-2-4-22(23)18-31/h2-9,20,25-26,33H,10-17,19H2,1H3,(H2,32,34,35)