N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[(2-phenyl-5-pyrimidinyl)amino]ethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CN=C(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CN=C(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-12-7-15(23-26-12)22-17(25)11-27-10-16(24)21-14-8-19-18(20-9-14)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,21,24)(H,22,23,25)