6-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3,4-dimethylanilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-14-7-8-17(9-15(14)2)23-20(26)11-18-12-21(27)25-22(24-18)29-13-16-5-4-6-19(10-16)28-3/h4-10,12H,11,13H2,1-3H3,(H,23,26)(H,24,25,27)/p-1