2-butoxy-9-[2-[3-(chloromethyl)phenyl]ethyl]purin-6-amine

Systemtic Name: 2-butoxy-9-[2-[3-(chloromethyl)phenyl]ethyl]purin-6-amine Openeye Name: 2-butoxy-9-[2-[3-(chloromethyl)phenyl]ethyl]purin-6-amine CAS Name: 2-butoxy-9-[2-[3-(chloromethyl)phenyl]ethyl]-6-purinamine IUPAC Name: 2-butoxy-9-[2-[3-(chloromethyl)phenyl]ethyl]purin-6-amine Traditional Name: [2-butoxy-9-[2-[3-(chloromethyl)phenyl]ethyl]purin-6-yl]amine Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCC3=CC(=CC=C3)CCl

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CCC3=CC(=CC=C3)CCl

InChI

InChI=1S/C18H22ClN5O/c1-2-3-9-25-18-22-16(20)15-17(23-18)24(12-21-15)8-7-13-5-4-6-14(10-13)11-19/h4-6,10,12H,2-3,7-9,11H2,1H3,(H2,20,22,23)