3-[[6-(dimethylamino)-2-phenyl-pyrimidin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[6-(dimethylamino)-2-phenyl-pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 3-[[6-(dimethylamino)-2-phenyl-pyrimidin-4-yl]amino]benzenesulfonic acid CAS Name: 3-[[6-(dimethylamino)-2-phenyl-4-pyrimidinyl]amino]benzenesulfonic acid IUPAC Name: 3-[[6-(dimethylamino)-2-phenylpyrimidin-4-yl]amino]benzenesulfonic acid Traditional Name: 3-[[6-(dimethylamino)-2-phenyl-pyrimidin-4-yl]amino]besylic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)NC2=CC(=CC=C2)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-22(2)17-12-16(20-18(21-17)13-7-4-3-5-8-13)19-14-9-6-10-15(11-14)26(23,24)25/h3-12H,1-2H3,(H,19,20,21)(H,23,24,25)