N2-(1-benzothiophen-5-yl)-N6-tert-butyl-8-cyclopropyl-7H-purine-2,6-diamine

Systemtic Name: N2-(1-benzothiophen-5-yl)-N6-tert-butyl-8-cyclopropyl-7H-purine-2,6-diamine Openeye Name: N2-(benzothiophen-5-yl)-N6-tert-butyl-8-cyclopropyl-7H-purine-2,6-diamine CAS Name: N2-(1-benzothiophen-5-yl)-N6-tert-butyl-8-cyclopropyl-7H-purine-2,6-diamine IUPAC Name: 2-N-(1-benzothiophen-5-yl)-6-N-tert-butyl-8-cyclopropyl-7H-purine-2,6-diamine Traditional Name: benzothiophen-5-yl-[6-(tert-butylamino)-8-cyclopropyl-7H-purin-2-yl]amine Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC2=C1NC(=N2)C3CC3)NC4=CC5=C(C=C4)SC=C5

Isomeric SMILES

CC(C)(C)NC1=NC(=NC2=C1NC(=N2)C3CC3)NC4=CC5=C(C=C4)SC=C5

InChI

InChI=1S/C20H22N6S/c1-20(2,3)26-18-15-17(23-16(22-15)11-4-5-11)24-19(25-18)21-13-6-7-14-12(10-13)8-9-27-14/h6-11H,4-5H2,1-3H3,(H3,21,22,23,24,25,26)