ethanedioic acid; (phenylmethyl) 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: ethanedioic acid; (phenylmethyl) 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[(4-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-[(4-pyrimidylamino)methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=NC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CNC2=NC=NC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N4O2.C2H2O4/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17;3-1(4)2(5)6/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21);(H,3,4)(H,5,6)