methyl 2-[6-methyl-2-(propanoylamino)pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-methyl-2-(propanoylamino)pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[6-methyl-2-(propanoylamino)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-methyl-2-(1-oxopropylamino)-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(propanoylamino)pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[(6-methyl-2-propionamido-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C11H15N3O3S MolecularWeight: 269.3201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=CC(=N1)SCC(=O)OC)C

Isomeric SMILES

CCC(=O)NC1=NC(=CC(=N1)SCC(=O)OC)C

InChI

InChI=1S/C11H15N3O3S/c1-4-8(15)13-11-12-7(2)5-9(14-11)18-6-10(16)17-3/h5H,4,6H2,1-3H3,(H,12,13,14,15)