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

Systemtic Name: 2-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(7-bromo-2-oxo-chromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(7-bromo-2-oxo-1-benzopyran-4-yl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(7-bromo-2-oxochromen-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(7-bromo-2-keto-chromen-4-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-2-3-12-8-15(21)20-17(19-12)24-9-10-6-16(22)23-14-7-11(18)4-5-13(10)14/h4-8H,2-3,9H2,1H3,(H,19,20,21)