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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(4-pentoxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[4-[oxo(pentoxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-amoxycarbonylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-3-4-5-10-26-18(25)14-6-8-15(9-7-14)21-17(24)12-27-19-20-13(2)11-16(23)22-19/h6-9,11H,3-5,10,12H2,1-2H3,(H,21,24)(H,20,22,23)/p-1