N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[[2-(p-tolyl)-7H-purin-6-yl]sulfanyl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[2-(p-tolyl)-7H-purin-6-yl]thio]acetamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)NC4=NOC(=C4)C)NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)NC4=NOC(=C4)C)NC=N3

InChI

InChI=1S/C18H16N6O2S/c1-10-3-5-12(6-4-10)16-22-17-15(19-9-20-17)18(23-16)27-8-14(25)21-13-7-11(2)26-24-13/h3-7,9H,8H2,1-2H3,(H,21,24,25)(H,19,20,22,23)