8-bromanyl-2-(3-ethoxypropoxy)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-(3-ethoxypropoxy)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-(3-ethoxypropoxy)purin-6-amine CAS Name: 8-bromo-2-(3-ethoxypropoxy)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-(3-ethoxypropoxy)purin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(3-ethoxypropoxy)purin-6-yl]amine Formula: C17H20BrN5O2 MolecularWeight: 406.277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCOCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H20BrN5O2/c1-2-24-9-6-10-25-17-21-14(19)13-15(22-17)23(16(18)20-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,19,21,22)