6-ethyl-2-[2-oxidanylidene-2-[(3-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-oxidanylidene-2-[(3-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(3-isopropoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-oxo-2-[3-[oxo(propan-2-yloxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-oxo-2-(3-propan-2-yloxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-(3-isopropoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-4-13-9-15(22)21-18(20-13)26-10-16(23)19-14-7-5-6-12(8-14)17(24)25-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,19,23)(H,20,21,22)/p-1