N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(p-tolyl)-7H-purin-6-yl]sulfanyl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(p-tolyl)-7H-purin-6-yl]thio]acetamide Formula: C23H20N6O2S2 MolecularWeight: 476.5739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NC4=C3NC=N4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=NC4=C3NC=N4)C5=CC=C(C=C5)C

InChI

InChI=1S/C23H20N6O2S2/c1-3-31-15-8-9-16-17(10-15)33-23(26-16)27-18(30)11-32-22-19-21(25-12-24-19)28-20(29-22)14-6-4-13(2)5-7-14/h4-10,12H,3,11H2,1-2H3,(H,26,27,30)(H,24,25,28,29)