4-[2-(6-chloranylbenzimidazol-1-yl)-8-methyl-6-pyridin-4-yl-purin-9-yl]cyclohexan-1-ol

Systemtic Name: 4-[2-(6-chloranylbenzimidazol-1-yl)-8-methyl-6-pyridin-4-yl-purin-9-yl]cyclohexan-1-ol Openeye Name: 4-[2-(6-chlorobenzimidazol-1-yl)-8-methyl-6-(4-pyridyl)purin-9-yl]cyclohexanol CAS Name: 4-[2-(6-chloro-1-benzimidazolyl)-8-methyl-6-pyridin-4-yl-9-purinyl]-1-cyclohexanol IUPAC Name: 4-[2-(6-chlorobenzimidazol-1-yl)-8-methyl-6-pyridin-4-ylpurin-9-yl]cyclohexan-1-ol Traditional Name: 4-[2-(6-chlorobenzimidazol-1-yl)-8-methyl-6-(4-pyridyl)purin-9-yl]cyclohexanol Formula: C24H22ClN7O MolecularWeight: 459.93078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=C(N=C2N1C3CCC(CC3)O)N4C=NC5=C4C=C(C=C5)Cl)C6=CC=NC=C6

Isomeric SMILES

CC1=NC2=C(N=C(N=C2N1C3CCC(CC3)O)N4C=NC5=C4C=C(C=C5)Cl)C6=CC=NC=C6

InChI

InChI=1S/C24H22ClN7O/c1-14-28-22-21(15-8-10-26-11-9-15)29-24(31-13-27-19-7-2-16(25)12-20(19)31)30-23(22)32(14)17-3-5-18(33)6-4-17/h2,7-13,17-18,33H,3-6H2,1H3