2-[[2-(5-chloranyl-2-methylsulfonyl-4H-pyrimidin-3-yl)-6-methyl-1,2-dihydropyrimidin-4-yl]sulfonyl]ethanesulfonic acid

Systemtic Name: 2-[[2-(5-chloranyl-2-methylsulfonyl-4H-pyrimidin-3-yl)-6-methyl-1,2-dihydropyrimidin-4-yl]sulfonyl]ethanesulfonic acid Openeye Name: 2-[[2-(5-chloro-2-methylsulfonyl-4H-pyrimidin-3-yl)-6-methyl-1,2-dihydropyrimidin-4-yl]sulfonyl]ethanesulfonic acid CAS Name: 2-[[2-(5-chloro-2-methylsulfonyl-4H-pyrimidin-3-yl)-6-methyl-1,2-dihydropyrimidin-4-yl]sulfonyl]ethanesulfonic acid IUPAC Name: 2-[[2-(5-chloro-2-methylsulfonyl-4H-pyrimidin-3-yl)-6-methyl-1,2-dihydropyrimidin-4-yl]sulfonyl]ethanesulfonic acid Traditional Name: 2-[[2-(5-chloro-2-mesyl-4H-pyrimidin-3-yl)-6-methyl-1,2-dihydropyrimidin-4-yl]sulfonyl]ethanesulfonic acid Formula: C12H17ClN4O7S3 MolecularWeight: 460.93398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(N1)N2CC(=CN=C2S(=O)(=O)C)Cl)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=NC(N1)N2CC(=CN=C2S(=O)(=O)C)Cl)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C12H17ClN4O7S3/c1-8-5-10(26(20,21)3-4-27(22,23)24)16-11(15-8)17-7-9(13)6-14-12(17)25(2,18)19/h5-6,11,15H,3-4,7H2,1-2H3,(H,22,23,24)