4-chloranyl-5-ethoxy-2-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-ethoxy-2-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)pyridazin-3-one Openeye Name: 4-chloro-5-ethoxy-2-(6-ethoxy-2-methylsulfanyl-pyrimidin-4-yl)pyridazin-3-one CAS Name: 4-chloro-5-ethoxy-2-[6-ethoxy-2-(methylthio)-4-pyrimidinyl]-3-pyridazinone IUPAC Name: 4-chloro-5-ethoxy-2-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)pyridazin-3-one Traditional Name: 4-chloro-5-ethoxy-2-[6-ethoxy-2-(methylthio)pyrimidin-4-yl]pyridazin-3-one Formula: C13H15ClN4O3S MolecularWeight: 342.8012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)N2C(=O)C(=C(C=N2)OCC)Cl)SC

Isomeric SMILES

CCOC1=NC(=NC(=C1)N2C(=O)C(=C(C=N2)OCC)Cl)SC

InChI

InChI=1S/C13H15ClN4O3S/c1-4-20-8-7-15-18(12(19)11(8)14)9-6-10(21-5-2)17-13(16-9)22-3/h6-7H,4-5H2,1-3H3