(E)-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enal

Systemtic Name: (E)-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enal Openeye Name: (E)-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enal CAS Name: (E)-3-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-2-propenal IUPAC Name: (E)-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enal Traditional Name: (E)-3-[4-keto-2-(methylthio)-1H-pteridin-6-yl]acrolein Formula: C10H8N4O2S MolecularWeight: 248.26112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=NC(=CN=C2N1)C=CC=O

Isomeric SMILES

CSC1=NC(=O)C2=NC(=CN=C2N1)/C=C/C=O

InChI

InChI=1S/C10H8N4O2S/c1-17-10-13-8-7(9(16)14-10)12-6(5-11-8)3-2-4-15/h2-5H,1H3,(H,11,13,14,16)/b3-2+