(2R)-1-[5-nitro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[5-nitro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[5-nitro-6-[4-(2-pyridylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[5-nitro-6-[4-(2-pyridinylmethyl)-1-piperazinyl]-4-pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[5-nitro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[5-nitro-6-[4-(2-pyridylmethyl)piperazino]pyrimidin-4-yl]proline Formula: C19H23N7O4 MolecularWeight: 413.43042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C19H23N7O4/c27-19(28)15-5-3-7-25(15)18-16(26(29)30)17(21-13-22-18)24-10-8-23(9-11-24)12-14-4-1-2-6-20-14/h1-2,4,6,13,15H,3,5,7-12H2,(H,27,28)/t15-/m1/s1