(2R)-1-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[6-(benzylamino)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]proline Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H17N5O4/c22-16(23)12-7-4-8-20(12)15-13(21(24)25)14(18-10-19-15)17-9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,22,23)(H,17,18,19)/t12-/m1/s1