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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-(2-thienyl)acetamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-(2-thienyl)acetamide Formula: C23H25N7O2S MolecularWeight: 463.5553

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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)CC5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)CC5=CC=CS5

InChI

InChI=1S/C23H25N7O2S/c1-32-18-11-14(4-5-17(18)28-19(31)12-16-3-2-10-33-16)21-20-22(24)26-13-27-23(20)30(29-21)15-6-8-25-9-7-15/h2-5,10-11,13,15,25H,6-9,12H2,1H3,(H,28,31)(H2,24,26,27)