5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C22H21ClN3O3S- MolecularWeight: 442.93844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC2=C(N=C(N=C2[O-])SCC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CC2=C(N=C(N=C2[O-])SCC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C22H22ClN3O3S/c1-13-18(23)8-5-9-19(13)25-20(27)11-17-14(2)24-22(26-21(17)28)30-12-15-6-4-7-16(10-15)29-3/h4-10H,11-12H2,1-3H3,(H,25,27)(H,24,26,28)/p-1