N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methylsulfanyl-benzamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methylsulfanyl-benzamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-4-(methylthio)benzamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-4-methylsulfanylbenzamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-(methylthio)benzamide Formula: C26H36N8OS MolecularWeight: 508.68204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C26H36N8OS/c1-36-21-12-6-17(7-13-21)25(35)29-15-14-28-23-22-24(34(16-30-22)20-4-2-3-5-20)33-26(32-23)31-19-10-8-18(27)9-11-19/h6-7,12-13,16,18-20H,2-5,8-11,14-15,27H2,1H3,(H,29,35)(H2,28,31,32,33)