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

Systemtic Name: 6-methyl-2-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H23N4O4S2- MolecularWeight: 435.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H24N4O4S2/c1-13-6-7-15(11-16(13)29(26,27)23-8-4-3-5-9-23)21-18(25)12-28-19-20-14(2)10-17(24)22-19/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,21,25)(H,20,22,24)/p-1