2-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H19ClN3O3S- MolecularWeight: 380.86906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)[O-]

InChI

InChI=1S/C17H20ClN3O3S/c1-4-5-11-7-15(22)21-17(19-11)25-9-16(23)20-13-6-10(2)12(18)8-14(13)24-3/h6-8H,4-5,9H2,1-3H3,(H,20,23)(H,19,21,22)/p-1