N6-tert-butyl-8-ethyl-N2-(2-methylsulfonyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine

Systemtic Name: N6-tert-butyl-8-ethyl-N2-(2-methylsulfonyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine Openeye Name: N6-tert-butyl-8-ethyl-N2-(2-methylsulfonylbenzothiophen-6-yl)-7H-purine-2,6-diamine CAS Name: N6-tert-butyl-8-ethyl-N2-(2-methylsulfonyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine IUPAC Name: 6-N-tert-butyl-8-ethyl-2-N-(2-methylsulfonyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine Traditional Name: tert-butyl-[8-ethyl-2-[(2-mesylbenzothiophen-6-yl)amino]-7H-purin-6-yl]amine Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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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)S(=O)(=O)C)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2S2/c1-6-14-22-16-17(23-14)24-19(25-18(16)26-20(2,3)4)21-12-8-7-11-9-15(30(5,27)28)29-13(11)10-12/h7-10H,6H2,1-5H3,(H3,21,22,23,24,25,26)