2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C18H16ClN2O3S- MolecularWeight: 375.84924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)[O-]

InChI

InChI=1S/C18H17ClN2O3S/c1-3-4-12-7-16(22)21-18(20-12)25-9-11-6-17(23)24-15-5-10(2)14(19)8-13(11)15/h5-8H,3-4,9H2,1-2H3,(H,20,21,22)/p-1