4-azanyl-2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-[[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]thio]pyrimidine-5-carboxylic acid Formula: C25H24N4O4S2 MolecularWeight: 508.61246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC=C(C(=N4)N)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC=C(C(=N4)N)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C25H24N4O4S2/c1-25(2,35(3,32)33)18-11-17-8-5-9-27-21(17)19(12-18)16-7-4-6-15(10-16)14-34-24-28-13-20(23(30)31)22(26)29-24/h4-13H,14H2,1-3H3,(H,30,31)(H2,26,28,29)