2-[2-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(4-methylpyrimidin-2-yl)azanidylsulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(4-methylpyrimidin-2-yl)azanidylsulfonylanilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[(4-methyl-2-pyrimidinyl)azanidylsulfonyl]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(4-methylpyrimidin-2-yl)azanidylsulfonylanilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(4-methylpyrimidin-2-yl)azanidylsulfonylanilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H20N6O4S2-2 MolecularWeight: 472.5406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC(=N3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC(=N3)C)[O-]

InChI

InChI=1S/C20H22N6O4S2/c1-3-4-15-11-17(27)25-20(24-15)31-12-18(28)23-14-5-7-16(8-6-14)32(29,30)26-19-21-10-9-13(2)22-19/h5-11H,3-4,12H2,1-2H3,(H3,21,22,23,24,25,26,27,28)/p-2