3-[6-[(5-chloranyl-2-methoxy-phenyl)methyl-cyclopentyl-amino]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-[(5-chloranyl-2-methoxy-phenyl)methyl-cyclopentyl-amino]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-[(5-chloro-2-methoxy-phenyl)methyl-cyclopentyl-amino]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-[(5-chloro-2-methoxyphenyl)methyl-cyclopentylamino]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-[(5-chloro-2-methoxyphenyl)methyl-cyclopentylamino]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-[(5-chloro-2-methoxy-benzyl)-cyclopentyl-amino]purin-9-yl]propane-1,2-diol Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CN(C2CCCC2)C3=NC=NC4=C3N=CN4CC(CO)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CN(C2CCCC2)C3=NC=NC4=C3N=CN4CC(CO)O

InChI

InChI=1S/C21H26ClN5O3/c1-30-18-7-6-15(22)8-14(18)9-27(16-4-2-3-5-16)21-19-20(23-12-24-21)26(13-25-19)10-17(29)11-28/h6-8,12-13,16-17,28-29H,2-5,9-11H2,1H3