2-azanyl-4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]besylic acid Formula: C12H13ClN4O5S2 MolecularWeight: 392.83842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O5S2/c1-6-10(13)11(17-12(15-6)23(2,18)19)16-7-3-4-9(8(14)5-7)24(20,21)22/h3-5H,14H2,1-2H3,(H,15,16,17)(H,20,21,22)