sodium 3-azanyl-5-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-4-methyl-benzenesulfonate

Systemtic Name: sodium 3-azanyl-5-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-4-methyl-benzenesulfonate Openeye Name: sodium 3-amino-5-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-4-methyl-benzenesulfonate CAS Name: sodium 3-amino-5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-methylbenzenesulfonate IUPAC Name: sodium 3-amino-5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methylbenzenesulfonate Traditional Name: sodium 3-amino-5-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-4-methyl-besylate Formula: C11H8ClF2N4NaO3S MolecularWeight: 372.710796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)[O-])NC2=C(C(=NC(=N2)F)F)Cl.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)[O-])NC2=C(C(=NC(=N2)F)F)Cl.[Na+]

InChI

InChI=1S/C11H9ClF2N4O3S.Na/c1-4-6(15)2-5(22(19,20)21)3-7(4)16-10-8(12)9(13)17-11(14)18-10;/h2-3H,15H2,1H3,(H,16,17,18)(H,19,20,21);/q;+1/p-1