4-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-2-yl]amino]cyclohexanol CAS Name: 4-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[9-isopropyl-6-[[4-(2-pyridyl)benzyl]amino]purin-2-yl]amino]cyclohexanol Formula: C26H31N7O MolecularWeight: 457.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=N4)NC5CCC(CC5)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=N4)NC5CCC(CC5)O

InChI

InChI=1S/C26H31N7O/c1-17(2)33-16-29-23-24(31-26(32-25(23)33)30-20-10-12-21(34)13-11-20)28-15-18-6-8-19(9-7-18)22-5-3-4-14-27-22/h3-9,14,16-17,20-21,34H,10-13,15H2,1-2H3,(H2,28,30,31,32)