N-[2-[[2-[(4-azanylcyclohexyl)amino]-3-chloranyl-9-cyclopentyl-2H-purin-6-yl]amino]ethyl]benzamide

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-3-chloranyl-9-cyclopentyl-2H-purin-6-yl]amino]ethyl]benzamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-3-chloro-9-cyclopentyl-2H-purin-6-yl]amino]ethyl]benzamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-3-chloro-9-cyclopentyl-2H-purin-6-yl]amino]ethyl]benzamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-3-chloro-9-cyclopentyl-2H-purin-6-yl]amino]ethyl]benzamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-3-chloro-9-cyclopentyl-2H-purin-6-yl]amino]ethyl]benzamide Formula: C25H35ClN8O MolecularWeight: 499.0514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN8O/c26-34-24-21(30-16-33(24)20-8-4-5-9-20)22(32-25(34)31-19-12-10-18(27)11-13-19)28-14-15-29-23(35)17-6-2-1-3-7-17/h1-3,6-7,16,18-20,25,31H,4-5,8-15,27H2,(H,28,32)(H,29,35)