6-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H14ClN3O6S2 MolecularWeight: 443.88186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)Cl

InChI

InChI=1S/C16H14ClN3O6S2/c1-8-14(17)15(20-16(18-8)27(2,22)23)19-10-4-3-9-5-11(28(24,25)26)7-13(21)12(9)6-10/h3-7,21H,1-2H3,(H,18,19,20)(H,24,25,26)