2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H19ClN3O2S- MolecularWeight: 364.86966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2Cl)C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2Cl)C)C)[O-]

InChI

InChI=1S/C17H20ClN3O2S/c1-4-5-12-8-14(22)21-17(19-12)24-9-15(23)20-16-11(3)6-10(2)7-13(16)18/h6-8H,4-5,9H2,1-3H3,(H,20,23)(H,19,21,22)/p-1