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

Systemtic Name: (2R)-1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[6-[2-(1-cyclohexenyl)ethylamino]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]proline Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)O

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC[C@@H]3C(=O)O

InChI

InChI=1S/C17H23N5O4/c23-17(24)13-7-4-10-21(13)16-14(22(25)26)15(19-11-20-16)18-9-8-12-5-2-1-3-6-12/h5,11,13H,1-4,6-10H2,(H,23,24)(H,18,19,20)/t13-/m1/s1