methyl 4-[[3-fluoranyl-5-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[3-fluoranyl-5-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[3-fluoro-5-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-fluoro-5-[[[(2-methyl-5-pyrimidinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-fluoro-5-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)carbamoylamino]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C19H23FN6O3 MolecularWeight: 402.422723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC1=NC=C(C=N1)NC(=O)NC2=CC(=CC(=C2)CN3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C19H23FN6O3/c1-13-21-10-17(11-22-13)24-18(27)23-16-8-14(7-15(20)9-16)12-25-3-5-26(6-4-25)19(28)29-2/h7-11H,3-6,12H2,1-2H3,(H2,23,24,27)