2-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]phenyl]ethanenitrile Openeye Name: 2-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]phenyl]acetonitrile CAS Name: 2-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]phenyl]acetonitrile IUPAC Name: 2-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]phenyl]acetonitrile Traditional Name: 2-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]phenyl]acetonitrile Formula: C24H30N8 MolecularWeight: 430.5486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)CC#N)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)CC#N)NC5CCC(CC5)N

InChI

InChI=1S/C24H30N8/c25-14-13-16-5-9-18(10-6-16)28-22-21-23(32(15-27-21)20-3-1-2-4-20)31-24(30-22)29-19-11-7-17(26)8-12-19/h5-6,9-10,15,17,19-20H,1-4,7-8,11-13,26H2,(H2,28,29,30,31)