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

Systemtic Name: N2-(1-benzothiophen-6-yl)-N6-tert-butyl-8-cyclopentyl-7H-purine-2,6-diamine Openeye Name: N2-(benzothiophen-6-yl)-N6-tert-butyl-8-cyclopentyl-7H-purine-2,6-diamine CAS Name: N2-(1-benzothiophen-6-yl)-N6-tert-butyl-8-cyclopentyl-7H-purine-2,6-diamine IUPAC Name: 2-N-(1-benzothiophen-6-yl)-6-N-tert-butyl-8-cyclopentyl-7H-purine-2,6-diamine Traditional Name: benzothiophen-6-yl-[6-(tert-butylamino)-8-cyclopentyl-7H-purin-2-yl]amine Formula: C22H26N6S MolecularWeight: 406.54704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC2=C1NC(=N2)C3CCCC3)NC4=CC5=C(C=C4)C=CS5

Isomeric SMILES

CC(C)(C)NC1=NC(=NC2=C1NC(=N2)C3CCCC3)NC4=CC5=C(C=C4)C=CS5

InChI

InChI=1S/C22H26N6S/c1-22(2,3)28-20-17-19(25-18(24-17)14-6-4-5-7-14)26-21(27-20)23-15-9-8-13-10-11-29-16(13)12-15/h8-12,14H,4-7H2,1-3H3,(H3,23,24,25,26,27,28)