3-[[4-(3-ethyl-4-methyl-2-oxidanylidene-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[4-(3-ethyl-4-methyl-2-oxidanylidene-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid Openeye Name: 3-[[4-(3-ethyl-4-methyl-2-oxo-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid CAS Name: 3-[[4-(3-ethyl-4-methyl-2-oxo-5-thiazolyl)-2-pyrimidinyl]amino]benzenesulfonic acid IUPAC Name: 3-[[4-(3-ethyl-4-methyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid Traditional Name: 3-[[4-(3-ethyl-2-keto-4-methyl-4-thiazolin-5-yl)pyrimidin-2-yl]amino]besylic acid Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(SC1=O)C2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)O)C

Isomeric SMILES

CCN1C(=C(SC1=O)C2=NC(=NC=C2)NC3=CC(=CC=C3)S(=O)(=O)O)C

InChI

InChI=1S/C16H16N4O4S2/c1-3-20-10(2)14(25-16(20)21)13-7-8-17-15(19-13)18-11-5-4-6-12(9-11)26(22,23)24/h4-9H,3H2,1-2H3,(H,17,18,19)(H,22,23,24)