3-(5-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)propanal

Systemtic Name: 3-(5-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)propanal Openeye Name: 3-(5-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)propanal CAS Name: 3-[5-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]propanal IUPAC Name: 3-(5-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)propanal Traditional Name: 3-[6-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]propionaldehyde Formula: C9H12N2O2S MolecularWeight: 212.26878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N(C1=O)CCC=O)SC

Isomeric SMILES

CC1=CN=C(N(C1=O)CCC=O)SC

InChI

InChI=1S/C9H12N2O2S/c1-7-6-10-9(14-2)11(8(7)13)4-3-5-12/h5-6H,3-4H2,1-2H3