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

Systemtic Name: 2-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-butoxycarbonylanilino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C20H24N3O4S- MolecularWeight: 402.48726

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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-])CC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-4-6-11-27-19(26)14-7-9-15(10-8-14)22-17(24)12-28-20-21-13(3)16(5-2)18(25)23-20/h7-10H,4-6,11-12H2,1-3H3,(H,22,24)(H,21,23,25)/p-1