2-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-hexoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-hexoxycarbonylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[4-[hexoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-hexoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-hexoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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