6-chloranyl-9-[1-[2-(phenylmethoxymethyl)oxan-2-yl]oxybutyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[1-[2-(phenylmethoxymethyl)oxan-2-yl]oxybutyl]purin-2-amine Openeye Name: 9-[1-[2-(benzyloxymethyl)tetrahydropyran-2-yl]oxybutyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[1-[[2-(phenylmethoxymethyl)-2-oxanyl]oxy]butyl]-2-purinamine IUPAC Name: 6-chloro-9-[1-[2-(phenylmethoxymethyl)oxan-2-yl]oxybutyl]purin-2-amine Traditional Name: [9-[1-[2-(benzoxymethyl)tetrahydropyran-2-yl]oxybutyl]-6-chloro-purin-2-yl]amine Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1C=NC2=C1N=C(N=C2Cl)N)OC3(CCCCO3)COCC4=CC=CC=C4

Isomeric SMILES

CCCC(N1C=NC2=C1N=C(N=C2Cl)N)OC3(CCCCO3)COCC4=CC=CC=C4

InChI

InChI=1S/C22H28ClN5O3/c1-2-8-17(28-15-25-18-19(23)26-21(24)27-20(18)28)31-22(11-6-7-12-30-22)14-29-13-16-9-4-3-5-10-16/h3-5,9-10,15,17H,2,6-8,11-14H2,1H3,(H2,24,26,27)