1-azanyl-2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-(9-ethylpurin-2-yl)cyclohexan-1-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=CN=C(N=C21)C3(CCCCC3(N)O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCN1C=NC2=CN=C(N=C21)C3(CCCCC3(N)O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

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