3-(but-2-ynylamino)-2-(methylamino)-6-pyrimidin-4-yl-piperazine-1-carboxylic acid

Systemtic Name: 3-(but-2-ynylamino)-2-(methylamino)-6-pyrimidin-4-yl-piperazine-1-carboxylic acid Openeye Name: 3-(but-2-ynylamino)-2-(methylamino)-6-pyrimidin-4-yl-piperazine-1-carboxylic acid CAS Name: 3-(but-2-ynylamino)-2-(methylamino)-6-(4-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 3-(but-2-ynylamino)-2-(methylamino)-6-pyrimidin-4-ylpiperazine-1-carboxylic acid Traditional Name: 3-(but-2-ynylamino)-2-(methylamino)-6-(4-pyrimidyl)piperazine-1-carboxylic acid Formula: C14H20N6O2 MolecularWeight: 304.3476

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1C(N(C(CN1)C2=NC=NC=C2)C(=O)O)NC

Isomeric SMILES

CC#CCNC1C(N(C(CN1)C2=NC=NC=C2)C(=O)O)NC

InChI

InChI=1S/C14H20N6O2/c1-3-4-6-17-12-13(15-2)20(14(21)22)11(8-18-12)10-5-7-16-9-19-10/h5,7,9,11-13,15,17-18H,6,8H2,1-2H3,(H,21,22)