2-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-butoxycarbonylanilino)-2-keto-ethyl]thio]-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Formula: C20H24N3O5S- MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-3-4-11-28-19(27)14-5-7-15(8-6-14)22-17(25)12-29-20-21-13(2)16(9-10-24)18(26)23-20/h5-8,24H,3-4,9-12H2,1-2H3,(H,22,25)(H,21,23,26)/p-1