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

Systemtic Name: 6-methyl-2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C21H17N4O2S2- MolecularWeight: 421.51528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CC(=N4)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CC(=N4)[O-])C

InChI

InChI=1S/C21H18N4O2S2/c1-12-3-8-16-17(9-12)29-20(24-16)14-4-6-15(7-5-14)23-19(27)11-28-21-22-13(2)10-18(26)25-21/h3-10H,11H2,1-2H3,(H,23,27)(H,22,25,26)/p-1