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

Systemtic Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-cyano-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O2S/c1-9-14(26-17(19-2)21-9)13-11(7-18)8-20-16(23-13)22-12-5-3-4-10(6-12)15(24)25/h3-6,8H,1-2H3,(H,19,21)(H,24,25)(H,20,22,23)