2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-propyl-pyrimidin-4-olate Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-propylpyrimidin-4-olate Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-6-propyl-pyrimidin-4-olate Formula: C15H14N3O2S- MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3O2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3O2)[O-]

InChI

InChI=1S/C15H15N3O2S/c1-2-5-10-8-13(19)18-15(16-10)21-9-14-17-11-6-3-4-7-12(11)20-14/h3-4,6-8H,2,5,9H2,1H3,(H,16,18,19)/p-1