(4-methylphenyl)methyl 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-[[(2-methylsulfanylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-(methylthio)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid (4-methylbenzyl) ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC3=NC(=NC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC3=NC(=NC=C3)SC

InChI

InChI=1S/C20H26N4O2S/c1-15-3-5-17(6-4-15)14-26-20(25)24-11-8-16(9-12-24)13-22-18-7-10-21-19(23-18)27-2/h3-7,10,16H,8-9,11-14H2,1-2H3,(H,21,22,23)