4-[[9-ethyl-6-[(4-morpholin-4-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[9-ethyl-6-[(4-morpholin-4-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[9-ethyl-6-(4-morpholinosulfonylanilino)purin-2-yl]amino]cyclohexanol CAS Name: 4-[[9-ethyl-6-[4-(4-morpholinylsulfonyl)anilino]-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[9-ethyl-6-(4-morpholin-4-ylsulfonylanilino)purin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[9-ethyl-6-(4-morpholinosulfonylanilino)purin-2-yl]amino]cyclohexanol Formula: C23H31N7O4S MolecularWeight: 501.60174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)NC5CCC(CC5)O

InChI

InChI=1S/C23H31N7O4S/c1-2-29-15-24-20-21(27-23(28-22(20)29)26-17-3-7-18(31)8-4-17)25-16-5-9-19(10-6-16)35(32,33)30-11-13-34-14-12-30/h5-6,9-10,15,17-18,31H,2-4,7-8,11-14H2,1H3,(H2,25,26,27,28)