3-[[2-azanyl-6-[(3-sulfophenyl)amino]pyrimidin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[2-azanyl-6-[(3-sulfophenyl)amino]pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 3-[[2-amino-6-(3-sulfoanilino)pyrimidin-4-yl]amino]benzenesulfonic acid CAS Name: 3-[[2-amino-6-(3-sulfoanilino)-4-pyrimidinyl]amino]benzenesulfonic acid IUPAC Name: 3-[[2-amino-6-(3-sulfoanilino)pyrimidin-4-yl]amino]benzenesulfonic acid Traditional Name: 3-[[2-amino-6-(3-sulfoanilino)pyrimidin-4-yl]amino]besylic acid Formula: C16H15N5O6S2 MolecularWeight: 437.4502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC(=NC(=N2)N)NC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC(=NC(=N2)N)NC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H15N5O6S2/c17-16-20-14(18-10-3-1-5-12(7-10)28(22,23)24)9-15(21-16)19-11-4-2-6-13(8-11)29(25,26)27/h1-9H,(H,22,23,24)(H,25,26,27)(H4,17,18,19,20,21)