6-methyl-2-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-morpholinosulfonylanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H19N4O5S2- MolecularWeight: 423.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[O-]

InChI

InChI=1S/C17H20N4O5S2/c1-12-9-15(22)20-17(18-12)27-11-16(23)19-13-3-2-4-14(10-13)28(24,25)21-5-7-26-8-6-21/h2-4,9-10H,5-8,11H2,1H3,(H,19,23)(H,18,20,22)/p-1