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

Systemtic Name: 6-ethyl-2-[2-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(4-isobutoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-[4-[2-methylpropoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-(4-isobutoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-4-14-9-16(23)22-19(21-14)27-11-17(24)20-15-7-5-13(6-8-15)18(25)26-10-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,20,24)(H,21,22,23)/p-1