N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-cyclohexyl-benzamide; ethanoic acid

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-cyclohexyl-benzamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-cyclohexyl-benzamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-cyclohexylbenzamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-cyclohexylbenzamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-cyclohexyl-benzamide Formula: C32H39N7O4 MolecularWeight: 585.69656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=C(C=C5)C6CCCCC6

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=C(C=C5)C6CCCCC6

InChI

InChI=1S/C30H35N7O2.C2H4O2/c1-39-25-17-22(27-26-28(31)33-18-34-29(26)37(36-27)23-13-15-32-16-14-23)11-12-24(25)35-30(38)21-9-7-20(8-10-21)19-5-3-2-4-6-19;1-2(3)4/h7-12,17-19,23,32H,2-6,13-16H2,1H3,(H,35,38)(H2,31,33,34);1H3,(H,3,4)