N2-(1,2,3-benzothiadiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine

Systemtic Name: N2-(1,2,3-benzothiadiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine Openeye Name: N2-(1,2,3-benzothiadiazol-5-yl)-N6-(1,1-dimethylpropyl)-7H-purine-2,6-diamine CAS Name: N2-(1,2,3-benzothiadiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine IUPAC Name: 2-N-(1,2,3-benzothiadiazol-5-yl)-6-N-(2-methylbutan-2-yl)-7H-purine-2,6-diamine Traditional Name: tert-amyl-[2-(1,2,3-benzothiadiazol-5-ylamino)-7H-purin-6-yl]amine Formula: C16H18N8S MolecularWeight: 354.43272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC4=C(C=C3)SN=N4

Isomeric SMILES

CCC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C16H18N8S/c1-4-16(2,3)22-14-12-13(18-8-17-12)20-15(21-14)19-9-5-6-11-10(7-9)23-24-25-11/h5-8H,4H2,1-3H3,(H3,17,18,19,20,21,22)