6-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C21H19ClN3O4S- MolecularWeight: 444.91126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-28-16-5-3-4-13(8-16)12-30-21-24-15(11-20(27)25-21)10-19(26)23-14-6-7-18(29-2)17(22)9-14/h3-9,11H,10,12H2,1-2H3,(H,23,26)(H,24,25,27)/p-1