N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-oxo-6-(3-pyridyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[4-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: N-[4-(4-methylphenyl)-5-isoxazolyl]-2-[[4-oxo-6-(3-pyridinyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(4-oxo-6-pyridin-3-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[[4-keto-6-(3-pyridyl)-1H-pyrimidin-2-yl]thio]-N-[4-(p-tolyl)isoxazol-5-yl]acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(ON=C2)NC(=O)CSC3=NC(=O)C=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(ON=C2)NC(=O)CSC3=NC(=O)C=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-13-4-6-14(7-5-13)16-11-23-29-20(16)25-19(28)12-30-21-24-17(9-18(27)26-21)15-3-2-8-22-10-15/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27)