6-[(Z)-2-bromanyl-3-oxidanylidene-but-1-enyl]-2-methylsulfanyl-1H-pteridin-4-one

Systemtic Name: 6-[(Z)-2-bromanyl-3-oxidanylidene-but-1-enyl]-2-methylsulfanyl-1H-pteridin-4-one Openeye Name: 6-[(Z)-2-bromo-3-oxo-but-1-enyl]-2-methylsulfanyl-1H-pteridin-4-one CAS Name: 6-[(Z)-2-bromo-3-oxobut-1-enyl]-2-(methylthio)-1H-pteridin-4-one IUPAC Name: 6-[(Z)-2-bromo-3-oxobut-1-enyl]-2-methylsulfanyl-1H-pteridin-4-one Traditional Name: 6-[(Z)-2-bromo-3-keto-but-1-enyl]-2-(methylthio)-1H-pteridin-4-one Formula: C11H9BrN4O2S MolecularWeight: 341.18376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CN=C2C(=N1)C(=O)N=C(N2)SC)Br

Isomeric SMILES

CC(=O)/C(=C/C1=CN=C2C(=N1)C(=O)N=C(N2)SC)/Br

InChI

InChI=1S/C11H9BrN4O2S/c1-5(17)7(12)3-6-4-13-9-8(14-6)10(18)16-11(15-9)19-2/h3-4H,1-2H3,(H,13,15,16,18)/b7-3-