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

Systemtic Name: 3-[4-(furan-2-ylmethylamino)-3-methoxy-phenyl]-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-(2-furylmethylamino)-3-methoxy-phenyl]-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-(2-furanylmethylamino)-3-methoxyphenyl]-1-[1-(1-methyl-4-piperidinyl)-4-piperidinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-(furan-2-ylmethylamino)-3-methoxyphenyl]-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-(2-furfuryl)amine Formula: C28H36N8O2 MolecularWeight: 516.63784

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NCC6=CC=CO6)OC)C(=NC=N4)N

Isomeric SMILES

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NCC6=CC=CO6)OC)C(=NC=N4)N

InChI

InChI=1S/C28H36N8O2/c1-34-11-7-20(8-12-34)35-13-9-21(10-14-35)36-28-25(27(29)31-18-32-28)26(33-36)19-5-6-23(24(16-19)37-2)30-17-22-4-3-15-38-22/h3-6,15-16,18,20-21,30H,7-14,17H2,1-2H3,(H2,29,31,32)