2-(6-chloranylbenzimidazol-1-yl)-8-methyl-9-(oxan-4-yl)-6-pyridin-4-yl-purine

Systemtic Name: 2-(6-chloranylbenzimidazol-1-yl)-8-methyl-9-(oxan-4-yl)-6-pyridin-4-yl-purine Openeye Name: 2-(6-chlorobenzimidazol-1-yl)-8-methyl-6-(4-pyridyl)-9-tetrahydropyran-4-yl-purine CAS Name: 2-(6-chloro-1-benzimidazolyl)-8-methyl-9-(4-oxanyl)-6-pyridin-4-ylpurine IUPAC Name: 2-(6-chlorobenzimidazol-1-yl)-8-methyl-9-(oxan-4-yl)-6-pyridin-4-ylpurine Traditional Name: 2-(6-chlorobenzimidazol-1-yl)-8-methyl-6-(4-pyridyl)-9-tetrahydropyran-4-yl-purine Formula: C23H20ClN7O MolecularWeight: 445.9042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=C(N=C2N1C3CCOCC3)N4C=NC5=C4C=C(C=C5)Cl)C6=CC=NC=C6

Isomeric SMILES

CC1=NC2=C(N=C(N=C2N1C3CCOCC3)N4C=NC5=C4C=C(C=C5)Cl)C6=CC=NC=C6

InChI

InChI=1S/C23H20ClN7O/c1-14-27-21-20(15-4-8-25-9-5-15)28-23(29-22(21)31(14)17-6-10-32-11-7-17)30-13-26-18-3-2-16(24)12-19(18)30/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3