[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-(2-thienyl)methanone CAS Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-(2-thienyl)methanone Formula: C26H36N8OS MolecularWeight: 508.68204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)C5=CC=CS5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)C5=CC=CS5)NC6CCC(CC6)N

InChI

InChI=1S/C26H36N8OS/c27-17-7-9-18(10-8-17)30-26-31-23(22-24(32-26)34(16-28-22)20-4-1-2-5-20)29-19-11-13-33(14-12-19)25(35)21-6-3-15-36-21/h3,6,15-20H,1-2,4-5,7-14,27H2,(H2,29,30,31,32)