S-[[3-fluoranyl-4-[6-[(1-methylpiperidin-4-yl)carbamoylamino]pyrimidin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate

Systemtic Name: S-[[3-fluoranyl-4-[6-[(1-methylpiperidin-4-yl)carbamoylamino]pyrimidin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate Openeye Name: S-[[3-fluoro-4-[6-[(1-methyl-4-piperidyl)carbamoylamino]pyrimidin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate CAS Name: ethanethioic acid S-[[[3-fluoro-4-[[6-[[[(1-methyl-4-piperidinyl)amino]-oxomethyl]amino]-4-pyrimidinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-fluoro-4-[6-[(1-methylpiperidin-4-yl)carbamoylamino]pyrimidin-4-yl]oxyphenyl]carbamoylamino] ethanethioate Traditional Name: ethanethioic acid S-[[3-fluoro-4-[6-[(1-methyl-4-piperidyl)carbamoylamino]pyrimidin-4-yl]oxy-phenyl]carbamoylamino] ester Formula: C20H24FN7O4S MolecularWeight: 477.512463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SNC(=O)NC1=CC(=C(C=C1)OC2=NC=NC(=C2)NC(=O)NC3CCN(CC3)C)F

Isomeric SMILES

CC(=O)SNC(=O)NC1=CC(=C(C=C1)OC2=NC=NC(=C2)NC(=O)NC3CCN(CC3)C)F

InChI

InChI=1S/C20H24FN7O4S/c1-12(29)33-27-20(31)25-14-3-4-16(15(21)9-14)32-18-10-17(22-11-23-18)26-19(30)24-13-5-7-28(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H2,25,27,31)(H2,22,23,24,26,30)