3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C16H15N7O2S2 MolecularWeight: 401.466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC)C2=NC(=NC=C2C#N)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC)C2=NC(=NC=C2C#N)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)