(phenylmethyl) 2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-1-carboxylate Openeye Name: benzyl 2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-1-carboxylate CAS Name: 2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate Traditional Name: 2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2CCCN2C(=O)OCC3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

CC1=NC(=NC(=C1)C2CCCN2C(=O)OCC3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C20H21N5O2/c1-15-12-17(23-19(22-15)24-11-9-21-14-24)18-8-5-10-25(18)20(26)27-13-16-6-3-2-4-7-16/h2-4,6-7,9,11-12,14,18H,5,8,10,13H2,1H3