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

Systemtic Name: 3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate Openeye Name: 3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid 3-phenylprop-2-ynyl ester Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2/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)