3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride

Systemtic Name: 3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride Openeye Name: 3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid 3-phenylprop-2-ynyl ester hydrochloride IUPAC Name: 3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate hydrochloride Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid 3-phenylprop-2-ynyl ester hydrochloride Formula: C14H15ClN2O2 MolecularWeight: 278.7341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN=CN1)C(=O)OCC#CC2=CC=CC=C2.Cl

Isomeric SMILES

C1C(CN=CN1)C(=O)OCC#CC2=CC=CC=C2.Cl

InChI

InChI=1S/C14H14N2O2.ClH/c17-14(13-9-15-11-16-10-13)18-8-4-7-12-5-2-1-3-6-12;/h1-3,5-6,11,13H,8-10H2,(H,15,16);1H