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

Systemtic Name: 2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(3-butoxycarbonylanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C23H22N3O4S- MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S/c1-2-3-12-30-22(29)17-10-7-11-18(13-17)24-21(28)15-31-23-25-19(14-20(27)26-23)16-8-5-4-6-9-16/h4-11,13-14H,2-3,12,15H2,1H3,(H,24,28)(H,25,26,27)/p-1