N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-isopropoxy-benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-propan-2-yloxybenzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-isopropoxy-benzamide Formula: C27H31N7O3 MolecularWeight: 501.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCNCC5)OC

InChI

InChI=1S/C27H31N7O3/c1-16(2)37-20-7-4-17(5-8-20)27(35)32-21-9-6-18(14-22(21)36-3)24-23-25(28)30-15-31-26(23)34(33-24)19-10-12-29-13-11-19/h4-9,14-16,19,29H,10-13H2,1-3H3,(H,32,35)(H2,28,30,31)