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

Systemtic Name: 2-[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-morpholinosulfonylanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H23N4O5S2- MolecularWeight: 451.53972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[O-]

InChI

InChI=1S/C19H24N4O5S2/c1-2-4-14-12-17(24)22-19(21-14)29-13-18(25)20-15-5-3-6-16(11-15)30(26,27)23-7-9-28-10-8-23/h3,5-6,11-12H,2,4,7-10,13H2,1H3,(H,20,25)(H,21,22,24)/p-1