8-[6-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyridin-2-yl]-7H-purine hydrochloride

Systemtic Name: 8-[6-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]pyridin-2-yl]-7H-purine hydrochloride Openeye Name: 8-[6-[(2-benzyloxy-5-chloro-phenyl)methyl]-2-pyridyl]-7H-purine hydrochloride CAS Name: 8-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-7H-purine hydrochloride IUPAC Name: 8-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridin-2-yl]-7H-purine hydrochloride Traditional Name: 8-[6-(2-benzoxy-5-chloro-benzyl)-2-pyridyl]-7H-purine hydrochloride Formula: C24H19Cl2N5O MolecularWeight: 464.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C4=NC5=NC=NC=C5N4.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=CC=CC(=N3)C4=NC5=NC=NC=C5N4.Cl

InChI

InChI=1S/C24H18ClN5O.ClH/c25-18-9-10-22(31-14-16-5-2-1-3-6-16)17(11-18)12-19-7-4-8-20(28-19)24-29-21-13-26-15-27-23(21)30-24;/h1-11,13,15H,12,14H2,(H,26,27,29,30);1H