2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[2-ethoxyethoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C19H22N3O5S- MolecularWeight: 404.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCCOCC)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCCOCC)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-3-14-11-16(23)22-19(21-14)28-12-17(24)20-15-7-5-13(6-8-15)18(25)27-10-9-26-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,24)(H,21,22,23)/p-1