3-[(5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide

Systemtic Name: 3-[(5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Openeye Name: 3-[(5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide CAS Name: 3-[[5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-N-(2-ethyl-3-pyrazolyl)-4-methylbenzamide IUPAC Name: 3-[(5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-N-(2-ethylpyrazol-3-yl)-4-methylbenzamide Traditional Name: 3-[[5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Formula: C19H19N7OS MolecularWeight: 393.46546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)C)NC3=C(C(=NC=N3)SC)C#N

Isomeric SMILES

CCN1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)C)NC3=C(C(=NC=N3)SC)C#N

InChI

InChI=1S/C19H19N7OS/c1-4-26-16(7-8-23-26)25-18(27)13-6-5-12(2)15(9-13)24-17-14(10-20)19(28-3)22-11-21-17/h5-9,11H,4H2,1-3H3,(H,25,27)(H,21,22,24)