N2-(1,3-benzothiazol-6-yl)-N6-tert-butyl-8-ethyl-7H-purine-2,6-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-N6-tert-butyl-8-ethyl-7H-purine-2,6-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-N6-tert-butyl-8-ethyl-7H-purine-2,6-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-N6-tert-butyl-8-ethyl-7H-purine-2,6-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-6-N-tert-butyl-8-ethyl-7H-purine-2,6-diamine Traditional Name: 1,3-benzothiazol-6-yl-[6-(tert-butylamino)-8-ethyl-7H-purin-2-yl]amine Formula: C18H21N7S MolecularWeight: 367.47124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)N=CS4)NC(C)(C)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)N=CS4)NC(C)(C)C

InChI

InChI=1S/C18H21N7S/c1-5-13-21-14-15(22-13)23-17(24-16(14)25-18(2,3)4)20-10-6-7-11-12(8-10)26-9-19-11/h6-9H,5H2,1-4H3,(H3,20,21,22,23,24,25)