7-(3-bromanyl-3-methyl-hexyl)-N-phenylmethoxy-purin-6-amine

Systemtic Name: 7-(3-bromanyl-3-methyl-hexyl)-N-phenylmethoxy-purin-6-amine Openeye Name: N-benzyloxy-7-(3-bromo-3-methyl-hexyl)purin-6-amine CAS Name: 7-(3-bromo-3-methylhexyl)-N-phenylmethoxy-6-purinamine IUPAC Name: 7-(3-bromo-3-methylhexyl)-N-phenylmethoxypurin-6-amine Traditional Name: benzoxy-[7-(3-bromo-3-methyl-hexyl)purin-6-yl]amine Formula: C19H24BrN5O MolecularWeight: 418.33076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CCN1C=NC2=C1C(=NC=N2)NOCC3=CC=CC=C3)Br

Isomeric SMILES

CCCC(C)(CCN1C=NC2=C1C(=NC=N2)NOCC3=CC=CC=C3)Br

InChI

InChI=1S/C19H24BrN5O/c1-3-9-19(2,20)10-11-25-14-23-17-16(25)18(22-13-21-17)24-26-12-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,24)