2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 2-[[2-(3-butoxycarbonylanilino)-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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