2-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-6-oxo-3-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]-6-oxo-3-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-6-oxo-3-propylpyrimidin-4-olate Traditional Name: 6-keto-2-[[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]thio]-3-propyl-pyrimidin-4-olate Formula: C21H27N4O5S2- MolecularWeight: 479.59288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)[O-]

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)[O-]

InChI

InChI=1S/C21H28N4O5S2/c1-3-9-25-20(28)13-18(26)23-21(25)31-14-19(27)22-16-8-7-15(2)17(12-16)32(29,30)24-10-5-4-6-11-24/h7-8,12-13,28H,3-6,9-11,14H2,1-2H3,(H,22,27)/p-1