2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C16H16ClN2O3S- MolecularWeight: 351.82784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C3C(=CC(=C2)Cl)COCO3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C3C(=CC(=C2)Cl)COCO3)[O-]

InChI

InChI=1S/C16H17ClN2O3S/c1-2-3-13-6-14(20)19-16(18-13)23-8-11-5-12(17)4-10-7-21-9-22-15(10)11/h4-6H,2-3,7-9H2,1H3,(H,18,19,20)/p-1