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

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-2-benzyloxy-ethanone CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-phenylmethoxyethanone Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-2-benzoxy-ethanone Formula: C30H42N8O2 MolecularWeight: 546.70688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)COCC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)COCC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C30H42N8O2/c31-22-10-12-23(13-11-22)34-30-35-28(27-29(36-30)38(20-32-27)25-8-4-5-9-25)33-24-14-16-37(17-15-24)26(39)19-40-18-21-6-2-1-3-7-21/h1-3,6-7,20,22-25H,4-5,8-19,31H2,(H2,33,34,35,36)