6-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]pyrimidin-4-olate Formula: C21H17N4O2S2- MolecularWeight: 421.51528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H18N4O2S2/c1-13-6-5-9-16-19(13)25-21(29-16)24-18(27)11-15-10-17(26)23-20(22-15)28-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,22,23,26)(H,24,25,27)/p-1