2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(C(=N3)[O-])CCO)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(C(=N3)[O-])CCO)C

InChI

InChI=1S/C19H20N2O4S/c1-3-12-4-5-15-13(9-17(23)25-16(15)8-12)10-26-19-20-11(2)14(6-7-22)18(24)21-19/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,20,21,24)/p-1