2-acetamido-6-pyrimidin-5-yl-hex-5-ynoic acid

Systemtic Name: 2-acetamido-6-pyrimidin-5-yl-hex-5-ynoic acid Openeye Name: 2-acetamido-6-pyrimidin-5-yl-hex-5-ynoic acid CAS Name: 2-acetamido-6-(5-pyrimidinyl)-5-hexynoic acid IUPAC Name: 2-acetamido-6-pyrimidin-5-ylhex-5-ynoic acid Traditional Name: 2-acetamido-6-(5-pyrimidyl)hex-5-ynoic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC#CC1=CN=CN=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC#CC1=CN=CN=C1)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-9(16)15-11(12(17)18)5-3-2-4-10-6-13-8-14-7-10/h6-8,11H,3,5H2,1H3,(H,15,16)(H,17,18)