2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(2-ethoxyethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[2-ethoxyethoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(2-ethoxyethoxycarbonyl)anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H24N3O5S- MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCCOCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCCOCC)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-3-5-16-12-17(24)23-20(22-16)29-13-18(25)21-15-8-6-14(7-9-15)19(26)28-11-10-27-4-2/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,21,25)(H,22,23,24)/p-1