5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C21H16FN4O2S2- MolecularWeight: 439.505743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17FN4O2S2/c1-12-14(10-18(27)25-21-24-16-8-4-5-9-17(16)30-21)19(28)26-20(23-12)29-11-13-6-2-3-7-15(13)22/h2-9H,10-11H2,1H3,(H,23,26,28)(H,24,25,27)/p-1