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

Systemtic Name: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride Openeye Name: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-4-ynyl ester hydrochloride IUPAC Name: pent-4-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-4-ynyl ester hydrochloride Formula: C10H15ClN2O2 MolecularWeight: 230.6913

Click to see the large picture

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