N6-tert-butyl-8-ethyl-N2-[2-(2-morpholin-4-ylethoxy)-1-benzothiophen-6-yl]-7H-purine-2,6-diamine

Systemtic Name: N6-tert-butyl-8-ethyl-N2-[2-(2-morpholin-4-ylethoxy)-1-benzothiophen-6-yl]-7H-purine-2,6-diamine Openeye Name: N6-tert-butyl-8-ethyl-N2-[2-(2-morpholinoethoxy)benzothiophen-6-yl]-7H-purine-2,6-diamine CAS Name: N6-tert-butyl-8-ethyl-N2-[2-[2-(4-morpholinyl)ethoxy]-1-benzothiophen-6-yl]-7H-purine-2,6-diamine IUPAC Name: 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)-1-benzothiophen-6-yl]-7H-purine-2,6-diamine Traditional Name: tert-butyl-[8-ethyl-2-[[2-(2-morpholinoethoxy)benzothiophen-6-yl]amino]-7H-purin-6-yl]amine Formula: C25H33N7O2S MolecularWeight: 495.64022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)C=C(S4)OCCN5CCOCC5)NC(C)(C)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)C=C(S4)OCCN5CCOCC5)NC(C)(C)C

InChI

InChI=1S/C25H33N7O2S/c1-5-19-27-21-22(28-19)29-24(30-23(21)31-25(2,3)4)26-17-7-6-16-14-20(35-18(16)15-17)34-13-10-32-8-11-33-12-9-32/h6-7,14-15H,5,8-13H2,1-4H3,(H3,26,27,28,29,30,31)