4-[[6-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-9-ethyl-purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[6-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-9-ethyl-purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[6-[4-(azepan-1-ylsulfonyl)anilino]-9-ethyl-purin-2-yl]amino]cyclohexanol CAS Name: 4-[[6-[4-(1-azepanylsulfonyl)anilino]-9-ethyl-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[6-[4-(azepan-1-ylsulfonyl)anilino]-9-ethylpurin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[6-[4-(azepan-1-ylsulfonyl)anilino]-9-ethyl-purin-2-yl]amino]cyclohexanol Formula: C25H35N7O3S MolecularWeight: 513.6555

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)NC5CCC(CC5)O

InChI

InChI=1S/C25H35N7O3S/c1-2-31-17-26-22-23(29-25(30-24(22)31)28-19-7-11-20(33)12-8-19)27-18-9-13-21(14-10-18)36(34,35)32-15-5-3-4-6-16-32/h9-10,13-14,17,19-20,33H,2-8,11-12,15-16H2,1H3,(H2,27,28,29,30)