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

Systemtic Name: 6-ethyl-2-[2-oxidanylidene-2-[(4-pentoxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-oxo-2-[4-[oxo(pentoxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-amoxycarbonylanilino)-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C20H24N3O4S- MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CC

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CC

InChI

InChI=1S/C20H25N3O4S/c1-3-5-6-11-27-19(26)14-7-9-16(10-8-14)21-18(25)13-28-20-22-15(4-2)12-17(24)23-20/h7-10,12H,3-6,11,13H2,1-2H3,(H,21,25)(H,22,23,24)/p-1