9-[1,4-bis[(4-methoxyphenyl)methoxy]butan-2-yloxy]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[1,4-bis[(4-methoxyphenyl)methoxy]butan-2-yloxy]-6-chloranyl-purin-2-amine Openeye Name: 6-chloro-9-[3-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]propoxy]purin-2-amine CAS Name: 9-[1,4-bis[(4-methoxyphenyl)methoxy]butan-2-yloxy]-6-chloro-2-purinamine IUPAC Name: 9-[1,4-bis[(4-methoxyphenyl)methoxy]butan-2-yloxy]-6-chloropurin-2-amine Traditional Name: [6-chloro-9-[3-p-anisyloxy-1-(p-anisyloxymethyl)propoxy]purin-2-yl]amine Formula: C25H28ClN5O5 MolecularWeight: 513.97332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCCC(COCC2=CC=C(C=C2)OC)ON3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)COCCC(COCC2=CC=C(C=C2)OC)ON3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C25H28ClN5O5/c1-32-19-7-3-17(4-8-19)13-34-12-11-21(15-35-14-18-5-9-20(33-2)10-6-18)36-31-16-28-22-23(26)29-25(27)30-24(22)31/h3-10,16,21H,11-15H2,1-2H3,(H2,27,29,30)