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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]furan-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]furan-2-carboxamide CAS Name: acetic acid; N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-furancarboxamide IUPAC Name: acetic acid; N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]furan-2-carboxamide Traditional Name: acetic acid; N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-furamide Formula: C24H27N7O5 MolecularWeight: 493.51508

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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=CO5

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C22H23N7O3.C2H4O2/c1-31-17-11-13(4-5-15(17)27-22(30)16-3-2-10-32-16)19-18-20(23)25-12-26-21(18)29(28-19)14-6-8-24-9-7-14;1-2(3)4/h2-5,10-12,14,24H,6-9H2,1H3,(H,27,30)(H2,23,25,26);1H3,(H,3,4)