4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine IUPAC Name: 4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: [4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C16H18FN7 MolecularWeight: 327.359423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=NC3=C2C=NN3)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=NC3=C2C=NN3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C16H18FN7/c17-11-2-4-12(5-3-11)23-6-1-7-24(9-8-23)15-13-10-19-22-14(13)20-16(18)21-15/h2-5,10H,1,6-9H2,(H3,18,19,20,21,22)