2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C15H14ClN2O3S- MolecularWeight: 337.80126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Cl)OCO3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Cl)OCO3)[O-]

InChI

InChI=1S/C15H15ClN2O3S/c1-2-3-10-5-14(19)18-15(17-10)22-7-9-4-12-13(6-11(9)16)21-8-20-12/h4-6H,2-3,7-8H2,1H3,(H,17,18,19)/p-1