2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C19H19N2O3S- MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C=CC(=C3C)C)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-4-5-14-9-16(22)21-19(20-14)25-10-13-8-17(23)24-18-12(3)11(2)6-7-15(13)18/h6-9H,4-5,10H2,1-3H3,(H,20,21,22)/p-1