3-(4-azanyl-3-methoxy-phenyl)-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-azanyl-3-methoxy-phenyl)-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-amino-3-methoxy-phenyl)-1-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-amino-3-methoxyphenyl)-1-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-amino-3-methoxyphenyl)-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]amine Formula: C21H25N9O MolecularWeight: 419.4829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CC5=NC=CN5)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CC5=NC=CN5)N

InChI

InChI=1S/C21H25N9O/c1-31-16-10-13(2-3-15(16)22)19-18-20(23)26-12-27-21(18)30(28-19)14-4-8-29(9-5-14)11-17-24-6-7-25-17/h2-3,6-7,10,12,14H,4-5,8-9,11,22H2,1H3,(H,24,25)(H2,23,26,27)