[3-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: [3-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: [3-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]phenyl]methanesulfonamide CAS Name: [3-[[5-fluoro-4-(4-prop-2-ynoxyanilino)-2-pyrimidinyl]amino]phenyl]methanesulfonamide IUPAC Name: [3-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: [3-[[5-fluoro-4-(4-propargyloxyanilino)pyrimidin-2-yl]amino]phenyl]methanesulfonamide Formula: C20H18FN5O3S MolecularWeight: 427.452023

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)CS(=O)(=O)N

Isomeric SMILES

C#CCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)CS(=O)(=O)N

InChI

InChI=1S/C20H18FN5O3S/c1-2-10-29-17-8-6-15(7-9-17)24-19-18(21)12-23-20(26-19)25-16-5-3-4-14(11-16)13-30(22,27)28/h1,3-9,11-12H,10,13H2,(H2,22,27,28)(H2,23,24,25,26)