2-[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl]thio]pyrimidin-4-olate Formula: C17H19N4O6S2- MolecularWeight: 439.48596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C17H20N4O6S2/c1-26-14-3-2-12(29(24,25)21-6-8-27-9-7-21)10-13(14)19-16(23)11-28-17-18-5-4-15(22)20-17/h2-5,10H,6-9,11H2,1H3,(H,19,23)(H,18,20,22)/p-1