2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C18H18N2O4S/c1-3-4-12-8-15(22)20-18(19-12)25-9-11-7-16(23)24-17-10(2)14(21)6-5-13(11)17/h5-8,21H,3-4,9H2,1-2H3,(H,19,20,22)