4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonyl-benzamide

Systemtic Name: 4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonyl-benzamide Openeye Name: 4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonyl-benzamide CAS Name: 4-[3-tert-butyl-5-[[oxo-(4-pyrimidinylamino)methyl]amino]-1-pyrazolyl]-N-methylsulfonylbenzamide IUPAC Name: 4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide Traditional Name: 4-[3-tert-butyl-5-(4-pyrimidylcarbamoylamino)pyrazol-1-yl]-N-mesyl-benzamide Formula: C20H23N7O4S MolecularWeight: 457.50612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC=NC=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC=NC=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C20H23N7O4S/c1-20(2,3)15-11-17(24-19(29)23-16-9-10-21-12-22-16)27(25-15)14-7-5-13(6-8-14)18(28)26-32(4,30)31/h5-12H,1-4H3,(H,26,28)(H2,21,22,23,24,29)