2-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]sulfanylacetonitrile CAS Name: 2-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-3-isoxazolyl]thio]acetonitrile IUPAC Name: 2-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1,2-oxazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]thio]acetonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SCC#N)C2=NC(=NC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)SCC#N)C2=NC(=NC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C16H13N5OS/c1-11-14(15(21-22-11)23-10-8-17)13-7-9-18-16(20-13)19-12-5-3-2-4-6-12/h2-7,9H,10H2,1H3,(H,18,19,20)