(phenylmethyl) 3-[(pyrimidin-2-ylamino)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(pyrimidin-2-ylamino)methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(pyrimidin-2-ylamino)methyl]pyrrolidine-1-carboxylate CAS Name: 3-[(2-pyrimidinylamino)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(pyrimidin-2-ylamino)methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(2-pyrimidylamino)methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC2=NC=CC=N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1CNC2=NC=CC=N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-17(23-13-14-5-2-1-3-6-14)21-10-7-15(12-21)11-20-16-18-8-4-9-19-16/h1-6,8-9,15H,7,10-13H2,(H,18,19,20)