2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O3S/c1-3-14-4-8-16(9-5-14)22-20(26)13-28-21-23-18(12-19(25)24-21)15-6-10-17(27-2)11-7-15/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)/p-1