N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-6-(3-methoxyphenyl)-N4-(3-methoxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

Systemtic Name: N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-6-(3-methoxyphenyl)-N4-(3-methoxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine Openeye Name: N2-[(1S)-1-(5-fluoro-2-pyridyl)ethyl]-6-(3-methoxyphenyl)-N4-(3-methoxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine CAS Name: N2-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-6-(3-methoxyphenyl)-N4-(3-methoxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-6-(3-methoxyphenyl)-4-N-(3-methoxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine Traditional Name: [(1S)-1-(5-fluoro-2-pyridyl)ethyl]-[4-(3-methoxyphenyl)-6-[(3-methoxy-1H-pyrazol-5-yl)amino]pyrimidin-2-yl]amine Formula: C22H22FN7O2 MolecularWeight: 435.454183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C(C=C1)F)NC2=NC(=CC(=N2)NC3=CC(=NN3)OC)C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@@H](C1=NC=C(C=C1)F)NC2=NC(=CC(=N2)NC3=CC(=NN3)OC)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H22FN7O2/c1-13(17-8-7-15(23)12-24-17)25-22-26-18(14-5-4-6-16(9-14)31-2)10-19(28-22)27-20-11-21(32-3)30-29-20/h4-13H,1-3H3,(H3,25,26,27,28,29,30)/t13-/m0/s1