pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride

Systemtic Name: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride Openeye Name: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-4-ynyl ester chloride IUPAC Name: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-4-ynyl ester chloride Formula: C10H14ClN2O2- MolecularWeight: 229.68336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O2.ClH/c1-2-3-4-5-14-10(13)9-6-11-8-12-7-9;/h1,8-9H,3-7H2,(H,11,12);1H/p-1