2-butoxy-9-[[5-(chloromethyl)-2-methoxy-phenyl]methyl]purin-6-amine

Systemtic Name: 2-butoxy-9-[[5-(chloromethyl)-2-methoxy-phenyl]methyl]purin-6-amine Openeye Name: 2-butoxy-9-[[5-(chloromethyl)-2-methoxy-phenyl]methyl]purin-6-amine CAS Name: 2-butoxy-9-[[5-(chloromethyl)-2-methoxyphenyl]methyl]-6-purinamine IUPAC Name: 2-butoxy-9-[[5-(chloromethyl)-2-methoxyphenyl]methyl]purin-6-amine Traditional Name: [2-butoxy-9-[5-(chloromethyl)-2-methoxy-benzyl]purin-6-yl]amine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC(=C3)CCl)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC(=C3)CCl)OC

InChI

InChI=1S/C18H22ClN5O2/c1-3-4-7-26-18-22-16(20)15-17(23-18)24(11-21-15)10-13-8-12(9-19)5-6-14(13)25-2/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,20,22,23)