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

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3)C)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-3-4-13-9-16(21)20-18(19-13)24-10-12-8-17(22)23-15-7-11(2)5-6-14(12)15/h5-9H,3-4,10H2,1-2H3,(H,19,20,21)/p-1