4-[4-[3-(7-azanyl-2-phenyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]-1-methyl-piperazin-2-one

Systemtic Name: 4-[4-[3-(7-azanyl-2-phenyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]-1-methyl-piperazin-2-one Openeye Name: 4-[4-[3-(7-amino-2-phenyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]-1-methyl-piperazin-2-one CAS Name: 4-[4-[3-(7-amino-2-phenyl-3H-benzimidazol-5-yl)-1-pyrazolo[3,4-d]pyrimidinyl]cyclohexyl]-1-methyl-2-piperazinone IUPAC Name: 4-[4-[3-(7-amino-2-phenyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]-1-methylpiperazin-2-one Traditional Name: 4-[4-[3-(7-amino-2-phenyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]-1-methyl-piperazin-2-one Formula: C29H31N9O MolecularWeight: 521.61614

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)C2CCC(CC2)N3C4=NC=NC=C4C(=N3)C5=CC6=C(C(=C5)N)N=C(N6)C7=CC=CC=C7

Isomeric SMILES

CN1CCN(CC1=O)C2CCC(CC2)N3C4=NC=NC=C4C(=N3)C5=CC6=C(C(=C5)N)N=C(N6)C7=CC=CC=C7

InChI

InChI=1S/C29H31N9O/c1-36-11-12-37(16-25(36)39)20-7-9-21(10-8-20)38-29-22(15-31-17-32-29)26(35-38)19-13-23(30)27-24(14-19)33-28(34-27)18-5-3-2-4-6-18/h2-6,13-15,17,20-21H,7-12,16,30H2,1H3,(H,33,34)