2-[4-(5-chloranyl-2-methylsulfonyl-1,2-dihydropyrimidin-6-yl)-6-methyl-pyrimidin-2-yl]sulfonylethanesulfonic acid

Systemtic Name: 2-[4-(5-chloranyl-2-methylsulfonyl-1,2-dihydropyrimidin-6-yl)-6-methyl-pyrimidin-2-yl]sulfonylethanesulfonic acid Openeye Name: 2-[4-(5-chloro-2-methylsulfonyl-1,2-dihydropyrimidin-6-yl)-6-methyl-pyrimidin-2-yl]sulfonylethanesulfonic acid CAS Name: 2-[[4-(5-chloro-2-methylsulfonyl-1,2-dihydropyrimidin-6-yl)-6-methyl-2-pyrimidinyl]sulfonyl]ethanesulfonic acid IUPAC Name: 2-[4-(5-chloro-2-methylsulfonyl-1,2-dihydropyrimidin-6-yl)-6-methylpyrimidin-2-yl]sulfonylethanesulfonic acid Traditional Name: 2-[4-(5-chloro-2-mesyl-1,2-dihydropyrimidin-6-yl)-6-methyl-pyrimidin-2-yl]sulfonylethanesulfonic acid Formula: C12H15ClN4O7S3 MolecularWeight: 458.9181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=C(C=NC(N2)S(=O)(=O)C)Cl)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=C(C=NC(N2)S(=O)(=O)C)Cl)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C12H15ClN4O7S3/c1-7-5-9(10-8(13)6-14-11(17-10)25(2,18)19)16-12(15-7)26(20,21)3-4-27(22,23)24/h5-6,11,17H,3-4H2,1-2H3,(H,22,23,24)