N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C20H22N4O2S/c1-13-10-15(14-8-6-5-7-9-14)22-19(21-13)27-12-17(25)23-18-11-16(24-26-18)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25)