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

Systemtic Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[5-tert-butyl-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-(phenylthio)propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N5O2S/c1-14-15(2)23-21(25-20(14)29)27-18(13-17(26-27)22(3,4)5)24-19(28)11-12-30-16-9-7-6-8-10-16/h6-10,13H,11-12H2,1-5H3,(H,24,28)(H,23,25,29)