8-butyl-N-phenyl-6-(thiophen-2-ylmethoxy)-7H-purin-2-amine

Systemtic Name: 8-butyl-N-phenyl-6-(thiophen-2-ylmethoxy)-7H-purin-2-amine Openeye Name: 8-butyl-N-phenyl-6-(2-thienylmethoxy)-7H-purin-2-amine CAS Name: 8-butyl-N-phenyl-6-(thiophen-2-ylmethoxy)-7H-purin-2-amine IUPAC Name: 8-butyl-N-phenyl-6-(thiophen-2-ylmethoxy)-7H-purin-2-amine Traditional Name: [8-butyl-6-(2-thenyloxy)-7H-purin-2-yl]-phenyl-amine Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)OCC4=CC=CS4

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)OCC4=CC=CS4

InChI

InChI=1S/C20H21N5OS/c1-2-3-11-16-22-17-18(23-16)24-20(21-14-8-5-4-6-9-14)25-19(17)26-13-15-10-7-12-27-15/h4-10,12H,2-3,11,13H2,1H3,(H2,21,22,23,24,25)