2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2COC3=CC=CC=C3O2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC[C@H]2COC3=CC=CC=C3O2)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-2-5-11-8-15(19)18-16(17-11)22-10-12-9-20-13-6-3-4-7-14(13)21-12/h3-4,6-8,12H,2,5,9-10H2,1H3,(H,17,18,19)/p-1/t12-/m1/s1