5-[2-(4-fluorophenyl)ethyl]-N2-(5-piperazin-1-ylpyridin-2-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-[2-(4-fluorophenyl)ethyl]-N2-(5-piperazin-1-ylpyridin-2-yl)pyrimidine-2,4-diamine Openeye Name: 5-[2-(4-fluorophenyl)ethyl]-N2-(5-piperazin-1-yl-2-pyridyl)pyrimidine-2,4-diamine CAS Name: 5-[2-(4-fluorophenyl)ethyl]-N2-[5-(1-piperazinyl)-2-pyridinyl]pyrimidine-2,4-diamine IUPAC Name: 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidine-2,4-diamine Traditional Name: [4-amino-5-[2-(4-fluorophenyl)ethyl]pyrimidin-2-yl]-(5-piperazino-2-pyridyl)amine Formula: C21H24FN7 MolecularWeight: 393.460563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=C(C=C2)NC3=NC=C(C(=N3)N)CCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)C2=CN=C(C=C2)NC3=NC=C(C(=N3)N)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN7/c22-17-5-2-15(3-6-17)1-4-16-13-26-21(28-20(16)23)27-19-8-7-18(14-25-19)29-11-9-24-10-12-29/h2-3,5-8,13-14,24H,1,4,9-12H2,(H3,23,25,26,27,28)