(4-methylphenyl)methyl 2-iodanyl-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-methylphenyl)methyl 2-iodanyl-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: p-tolylmethyl 2-iodo-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate CAS Name: 2-iodo-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-iodo-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 2-iodo-4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid (4-methylbenzyl) ester Formula: C19H23IN4O2 MolecularWeight: 466.31599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2I)CNC3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC(CC2I)CNC3=NC=CC=N3

InChI

InChI=1S/C19H23IN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(11-17(24)20)12-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)