3-[[2-[[(1R,2S)-2-azanylcyclohexyl]amino]-9-ethyl-purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-[[(1R,2S)-2-azanylcyclohexyl]amino]-9-ethyl-purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-9-ethyl-purin-6-yl]amino]benzonitrile CAS Name: 3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-9-ethyl-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-9-ethylpurin-6-yl]amino]benzonitrile Traditional Name: 3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-9-ethyl-purin-6-yl]amino]benzonitrile Formula: C20H24N8 MolecularWeight: 376.45816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NC4CCCCC4N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N[C@@H]4CCCC[C@@H]4N

InChI

InChI=1S/C20H24N8/c1-2-28-12-23-17-18(24-14-7-5-6-13(10-14)11-21)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10,12,15-16H,2-4,8-9,22H2,1H3,(H2,24,25,26,27)/t15-,16+/m0/s1