7-bromanyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-bromanyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-bromo-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 7-bromo-4-[(2-pyrimidinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-bromo-4-[(2-pyrimidylthio)methyl]coumarin Formula: C14H9BrN2O2S MolecularWeight: 349.20246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C14H9BrN2O2S/c15-10-2-3-11-9(6-13(18)19-12(11)7-10)8-20-14-16-4-1-5-17-14/h1-7H,8H2