3-bromanyl-N-[5-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-bromanyl-N-[5-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide Openeye Name: 3-bromo-N-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-thiazol-2-yl]propanamide CAS Name: 3-bromo-N-[5-[2-(4-fluoroanilino)-4-pyrimidinyl]-4-methyl-2-thiazolyl]propanamide IUPAC Name: 3-bromo-N-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide Traditional Name: 3-bromo-N-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-thiazol-2-yl]propionamide Formula: C17H15BrFN5OS MolecularWeight: 436.301303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCBr)C2=NC(=NC=C2)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCBr)C2=NC(=NC=C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15BrFN5OS/c1-10-15(26-17(21-10)24-14(25)6-8-18)13-7-9-20-16(23-13)22-12-4-2-11(19)3-5-12/h2-5,7,9H,6,8H2,1H3,(H,20,22,23)(H,21,24,25)