2-[2-(phenylcarbonyloxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(phenylcarbonyloxy)ethylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-(2-benzoyloxyethylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-(2-benzoyloxyethylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-(2-benzoyloxyethylsulfanyl)-6-propylpyrimidin-4-olate Traditional Name: 2-(2-benzoyloxyethylthio)-6-propyl-pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-2-6-13-11-14(19)18-16(17-13)22-10-9-21-15(20)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,17,18,19)/p-1