5-chloranyl-2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-(diisopropylamino)-2-keto-ethyl]thio]pyrimidine-4-carboxylate Formula: C13H17ClN3O3S- MolecularWeight: 330.81038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O3S/c1-7(2)17(8(3)4)10(18)6-21-13-15-5-9(14)11(16-13)12(19)20/h5,7-8H,6H2,1-4H3,(H,19,20)/p-1