N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide Traditional Name: 3-besyl-N-[5-tert-butyl-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]propionamide Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N5O4S/c1-14-15(2)23-21(25-20(14)29)27-18(13-17(26-27)22(3,4)5)24-19(28)11-12-32(30,31)16-9-7-6-8-10-16/h6-10,13H,11-12H2,1-5H3,(H,24,28)(H,23,25,29)