N-(5-tert-butylfuran-3-yl)-3-[2-[6-(cyclopropylamino)purin-9-yl]ethynyl]-4-methyl-benzamide

Systemtic Name: N-(5-tert-butylfuran-3-yl)-3-[2-[6-(cyclopropylamino)purin-9-yl]ethynyl]-4-methyl-benzamide Openeye Name: N-(5-tert-butyl-3-furyl)-3-[2-[6-(cyclopropylamino)purin-9-yl]ethynyl]-4-methyl-benzamide CAS Name: N-(5-tert-butyl-3-furanyl)-3-[2-[6-(cyclopropylamino)-9-purinyl]ethynyl]-4-methylbenzamide IUPAC Name: N-(5-tert-butylfuran-3-yl)-3-[2-[6-(cyclopropylamino)purin-9-yl]ethynyl]-4-methylbenzamide Traditional Name: N-(5-tert-butyl-3-furyl)-3-[2-[6-(cyclopropylamino)purin-9-yl]ethynyl]-4-methyl-benzamide Formula: C26H26N6O2 MolecularWeight: 454.52364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=COC(=C2)C(C)(C)C)C#CN3C=NC4=C3N=CN=C4NC5CC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=COC(=C2)C(C)(C)C)C#CN3C=NC4=C3N=CN=C4NC5CC5

InChI

InChI=1S/C26H26N6O2/c1-16-5-6-18(25(33)31-20-12-21(34-13-20)26(2,3)4)11-17(16)9-10-32-15-29-22-23(30-19-7-8-19)27-14-28-24(22)32/h5-6,11-15,19H,7-8H2,1-4H3,(H,31,33)(H,27,28,30)