2-methylsulfanyl-6-[(E)-3-oxidanylidenebut-1-enyl]-1H-pteridin-4-one

Systemtic Name: 2-methylsulfanyl-6-[(E)-3-oxidanylidenebut-1-enyl]-1H-pteridin-4-one Openeye Name: 2-methylsulfanyl-6-[(E)-3-oxobut-1-enyl]-1H-pteridin-4-one CAS Name: 2-(methylthio)-6-[(E)-3-oxobut-1-enyl]-1H-pteridin-4-one IUPAC Name: 2-methylsulfanyl-6-[(E)-3-oxobut-1-enyl]-1H-pteridin-4-one Traditional Name: 6-[(E)-3-ketobut-1-enyl]-2-(methylthio)-1H-pteridin-4-one Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O2S/c1-6(16)3-4-7-5-12-9-8(13-7)10(17)15-11(14-9)18-2/h3-5H,1-2H3,(H,12,14,15,17)/b4-3+