N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzothiophene-2-carboxamide Formula: C26H25N7O2S MolecularWeight: 499.5874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C26H25N7O2S/c1-35-19-12-16(6-7-18(19)31-26(34)21-13-15-4-2-3-5-20(15)36-21)23-22-24(27)29-14-30-25(22)33(32-23)17-8-10-28-11-9-17/h2-7,12-14,17,28H,8-11H2,1H3,(H,31,34)(H2,27,29,30)