methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C13H16N4O4S/c1-17(5-3-4-14)11(19)8-22-13-15-9(6-10(18)16-13)7-12(20)21-2/h6H,3,5,7-8H2,1-2H3,(H,15,16,18)