disodium 4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-5-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-5-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonate Formula: C16H12ClN3Na2O9S3 MolecularWeight: 567.90872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

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