but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

Systemtic Name: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate Openeye Name: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid but-3-ynyl ester IUPAC Name: but-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid but-3-ynyl ester Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCOC(=O)C1CNC=NC1

Isomeric SMILES

C#CCCOC(=O)C1CNC=NC1

InChI

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