but-3-yn-2-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride

Systemtic Name: but-3-yn-2-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride Openeye Name: 1-methylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid but-3-yn-2-yl ester chloride IUPAC Name: but-3-yn-2-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid 1-methylprop-2-ynyl ester chloride Formula: C9H12ClN2O2- MolecularWeight: 215.65678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC(=O)C1CNC=NC1.[Cl-]

Isomeric SMILES

CC(C#C)OC(=O)C1CNC=NC1.[Cl-]

InChI

InChI=1S/C9H12N2O2.ClH/c1-3-7(2)13-9(12)8-4-10-6-11-5-8;/h1,6-8H,4-5H2,2H3,(H,10,11);1H/p-1