5-bromanyl-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-bromanyl-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyrimidine-4-carboxylic acid Openeye Name: 5-bromo-2-[(3S)-3-ethoxycarbonyl-1-piperidyl]pyrimidine-4-carboxylic acid CAS Name: 5-bromo-2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-4-pyrimidinecarboxylic acid IUPAC Name: 5-bromo-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyrimidine-4-carboxylic acid Traditional Name: 5-bromo-2-[(3S)-3-carbethoxypiperidino]pyrimidine-4-carboxylic acid Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=C(C(=N2)C(=O)O)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC=C(C(=N2)C(=O)O)Br

InChI

InChI=1S/C13H16BrN3O4/c1-2-21-12(20)8-4-3-5-17(7-8)13-15-6-9(14)10(16-13)11(18)19/h6,8H,2-5,7H2,1H3,(H,18,19)/t8-/m0/s1