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

Systemtic Name: pent-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate Openeye Name: pent-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-3-ynyl ester IUPAC Name: pent-3-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate Traditional Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid pent-3-ynyl ester Formula: C10H14N2O2 MolecularWeight: 194.23036

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCOC(=O)C1CNC=NC1

Isomeric SMILES

CC#CCCOC(=O)C1CNC=NC1

InChI

InChI=1S/C10H14N2O2/c1-2-3-4-5-14-10(13)9-6-11-8-12-7-9/h8-9H,4-7H2,1H3,(H,11,12)