2-azanyl-5-(6-azanyl-4-methyl-2-methylsulfonyl-4H-pyrimidin-3-yl)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(6-azanyl-4-methyl-2-methylsulfonyl-4H-pyrimidin-3-yl)benzenesulfonic acid Openeye Name: 2-amino-5-(6-amino-4-methyl-2-methylsulfonyl-4H-pyrimidin-3-yl)benzenesulfonic acid CAS Name: 2-amino-5-(6-amino-4-methyl-2-methylsulfonyl-4H-pyrimidin-3-yl)benzenesulfonic acid IUPAC Name: 2-amino-5-(6-amino-4-methyl-2-methylsulfonyl-4H-pyrimidin-3-yl)benzenesulfonic acid Traditional Name: 2-amino-5-(6-amino-2-mesyl-4-methyl-4H-pyrimidin-3-yl)besylic acid Formula: C12H16N4O5S2 MolecularWeight: 360.40924

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N=C(N1C2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)C)N

Isomeric SMILES

CC1C=C(N=C(N1C2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)C)N

InChI

InChI=1S/C12H16N4O5S2/c1-7-5-11(14)15-12(22(2,17)18)16(7)8-3-4-9(13)10(6-8)23(19,20)21/h3-7H,13-14H2,1-2H3,(H,19,20,21)