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

Systemtic Name: 2-[2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[3-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-(2-methyl-4-thiazolyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[3-(2-methylthiazol-4-yl)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H19N4O2S2- MolecularWeight: 399.50976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C3=CSC(=N3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C3=CSC(=N3)C)[O-]

InChI

InChI=1S/C19H20N4O2S2/c1-3-5-14-9-17(24)23-19(22-14)27-11-18(25)21-15-7-4-6-13(8-15)16-10-26-12(2)20-16/h4,6-10H,3,5,11H2,1-2H3,(H,21,25)(H,22,23,24)/p-1