3-[4-(1-benzofuran-2-ylmethylamino)-3-methoxy-phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-(1-benzofuran-2-ylmethylamino)-3-methoxy-phenyl]-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-(benzofuran-2-ylmethylamino)-3-methoxy-phenyl]-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-(2-benzofuranylmethylamino)-3-methoxyphenyl]-1-(4-piperidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-(1-benzofuran-2-ylmethylamino)-3-methoxyphenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-(benzofuran-2-ylmethyl)amine Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NCC5=CC6=CC=CC=C6O5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NCC5=CC6=CC=CC=C6O5

InChI

InChI=1S/C26H27N7O2/c1-34-22-13-17(6-7-20(22)29-14-19-12-16-4-2-3-5-21(16)35-19)24-23-25(27)30-15-31-26(23)33(32-24)18-8-10-28-11-9-18/h2-7,12-13,15,18,28-29H,8-11,14H2,1H3,(H2,27,30,31)