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

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-chloranyl-benzamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-chloro-benzamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-4-chlorobenzamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-4-chlorobenzamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-chloro-benzamide Formula: C25H33ClN8O MolecularWeight: 497.03552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=CC=C(C=C4)Cl)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=CC=C(C=C4)Cl)NC5CCC(CC5)N

InChI

InChI=1S/C25H33ClN8O/c26-17-7-5-16(6-8-17)24(35)29-14-13-28-22-21-23(34(15-30-21)20-3-1-2-4-20)33-25(32-22)31-19-11-9-18(27)10-12-19/h5-8,15,18-20H,1-4,9-14,27H2,(H,29,35)(H2,28,31,32,33)