S-(fluoranylmethyl) 5-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzenecarbothioate

Systemtic Name: S-(fluoranylmethyl) 5-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzenecarbothioate Openeye Name: S-(fluoromethyl) 5-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzenecarbothioate CAS Name: 5-[[4-[4-[[cyano(methyl)amino]-oxomethyl]phenyl]-2-pyrimidinyl]amino]-2-(4-morpholinyl)benzenecarbothioic acid S-(fluoromethyl) ester IUPAC Name: S-(fluoromethyl) 5-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzenecarbothioate Traditional Name: 5-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]-2-morpholino-thiobenzoic acid S-(fluoromethyl) ester Formula: C25H23FN6O3S MolecularWeight: 506.551923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)SCF

Isomeric SMILES

CN(C#N)C(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)SCF

InChI

InChI=1S/C25H23FN6O3S/c1-31(16-27)23(33)18-4-2-17(3-5-18)21-8-9-28-25(30-21)29-19-6-7-22(32-10-12-35-13-11-32)20(14-19)24(34)36-15-26/h2-9,14H,10-13,15H2,1H3,(H,28,29,30)