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

Systemtic Name: 6-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(2-ethoxyanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(2-ethoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(2-ethoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-(o-phenetidino)ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H22N3O4S- MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-3-29-19-10-5-4-9-18(19)24-20(26)12-16-13-21(27)25-22(23-16)30-14-15-7-6-8-17(11-15)28-2/h4-11,13H,3,12,14H2,1-2H3,(H,24,26)(H,23,25,27)/p-1