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

Systemtic Name: 6-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C21H19ClN3O3S- MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-])Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-13-6-7-15(9-18(13)22)23-19(26)10-16-11-20(27)25-21(24-16)29-12-14-4-3-5-17(8-14)28-2/h3-9,11H,10,12H2,1-2H3,(H,23,26)(H,24,25,27)/p-1