1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-2-phenyl-butan-1-one CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-2-phenyl-butan-1-one Formula: C31H44N8O MolecularWeight: 544.73406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C31H44N8O/c1-2-26(21-8-4-3-5-9-21)30(40)38-18-16-24(17-19-38)34-28-27-29(39(20-33-27)25-10-6-7-11-25)37-31(36-28)35-23-14-12-22(32)13-15-23/h3-5,8-9,20,22-26H,2,6-7,10-19,32H2,1H3,(H2,34,35,36,37)