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

Systemtic Name: 3-[6-[[chloranyl-(2-methoxyphenyl)methyl]-cyclopentyl-amino]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-[[chloro-(2-methoxyphenyl)methyl]-cyclopentyl-amino]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-[[chloro-(2-methoxyphenyl)methyl]-cyclopentylamino]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-[[chloro-(2-methoxyphenyl)methyl]-cyclopentylamino]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-[[chloro-(2-methoxyphenyl)methyl]-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=CC=CC=C1C(N(C2CCCC2)C3=NC=NC4=C3N=CN4CC(CO)O)Cl

Isomeric SMILES

COC1=CC=CC=C1C(N(C2CCCC2)C3=NC=NC4=C3N=CN4CC(CO)O)Cl

InChI

InChI=1S/C21H26ClN5O3/c1-30-17-9-5-4-8-16(17)19(22)27(14-6-2-3-7-14)21-18-20(23-12-24-21)26(13-25-18)10-15(29)11-28/h4-5,8-9,12-15,19,28-29H,2-3,6-7,10-11H2,1H3