9-butyl-N-(6-ethoxypyridin-3-yl)-6-(thiophen-2-ylmethoxy)purin-2-amine

Systemtic Name: 9-butyl-N-(6-ethoxypyridin-3-yl)-6-(thiophen-2-ylmethoxy)purin-2-amine Openeye Name: 9-butyl-N-(6-ethoxy-3-pyridyl)-6-(2-thienylmethoxy)purin-2-amine CAS Name: 9-butyl-N-(6-ethoxy-3-pyridinyl)-6-(thiophen-2-ylmethoxy)-2-purinamine IUPAC Name: 9-butyl-N-(6-ethoxypyridin-3-yl)-6-(thiophen-2-ylmethoxy)purin-2-amine Traditional Name: [9-butyl-6-(2-thenyloxy)purin-2-yl]-(6-ethoxy-3-pyridyl)amine Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC3=CC=CS3)NC4=CN=C(C=C4)OCC

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC3=CC=CS3)NC4=CN=C(C=C4)OCC

InChI

InChI=1S/C21H24N6O2S/c1-3-5-10-27-14-23-18-19(27)25-21(24-15-8-9-17(22-12-15)28-4-2)26-20(18)29-13-16-7-6-11-30-16/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,24,25,26)