5-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(diethylamino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-(diethylamino)-2-keto-ethyl]thio]pyrimidine-4-carboxylate Formula: C11H13ClN3O3S- MolecularWeight: 302.75722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC=C(C(=N1)C(=O)[O-])Cl

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC=C(C(=N1)C(=O)[O-])Cl

InChI

InChI=1S/C11H14ClN3O3S/c1-3-15(4-2)8(16)6-19-11-13-5-7(12)9(14-11)10(17)18/h5H,3-4,6H2,1-2H3,(H,17,18)/p-1