2-azanyl-4-[[2,6-bis(chloranyl)-5-cyano-pyrimidin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[2,6-bis(chloranyl)-5-cyano-pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(2,6-dichloro-5-cyano-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(2,6-dichloro-5-cyano-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(2,6-dichloro-5-cyanopyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(2,6-dichloro-5-cyano-pyrimidin-4-yl)amino]besylic acid Formula: C11H7Cl2N5O3S MolecularWeight: 360.17598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)Cl)C#N)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)Cl)C#N)N)S(=O)(=O)O

InChI

InChI=1S/C11H7Cl2N5O3S/c12-9-6(4-14)10(18-11(13)17-9)16-5-1-2-8(7(15)3-5)22(19,20)21/h1-3H,15H2,(H,16,17,18)(H,19,20,21)