N2,N4-bis(1-ethylindazol-5-yl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(1-ethylindazol-5-yl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(1-ethylindazol-5-yl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(1-ethyl-5-indazolyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(1-ethylindazol-5-yl)-5-fluoropyrimidine-2,4-diamine Traditional Name: (1-ethylindazol-5-yl)-[2-[(1-ethylindazol-5-yl)amino]-5-fluoro-pyrimidin-4-yl]amine Formula: C22H21FN8 MolecularWeight: 416.454143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)N(N=C5)CC)C=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)N(N=C5)CC)C=N1

InChI

InChI=1S/C22H21FN8/c1-3-30-19-7-5-16(9-14(19)11-25-30)27-21-18(23)13-24-22(29-21)28-17-6-8-20-15(10-17)12-26-31(20)4-2/h5-13H,3-4H2,1-2H3,(H2,24,27,28,29)