4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C16H14ClN3O9S3 MolecularWeight: 523.94506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O9S3/c1-7-14(17)15(20-16(18-7)30(2,22)23)19-10-3-4-12(32(27,28)29)9-5-8(31(24,25)26)6-11(21)13(9)10/h3-6,21H,1-2H3,(H,18,19,20)(H,24,25,26)(H,27,28,29)