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

Systemtic Name: methyl 4-[[4-fluoranyl-3-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-fluoro-3-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[(2-methyl-5-pyrimidinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-fluoro-3-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[(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=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN6O3/c1-13-21-10-15(11-22-13)23-18(27)24-17-9-14(3-4-16(17)20)12-25-5-7-26(8-6-25)19(28)29-2/h3-4,9-11H,5-8,12H2,1-2H3,(H2,23,24,27)