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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 5-[2-keto-2-[2-(methylthio)anilino]ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C22H22N3O3S2- MolecularWeight: 440.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H23N3O3S2/c1-14-17(12-20(26)24-18-9-4-5-10-19(18)29-3)21(27)25-22(23-14)30-13-15-7-6-8-16(11-15)28-2/h4-11H,12-13H2,1-3H3,(H,24,26)(H,23,25,27)/p-1