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

Systemtic Name: N2-(2-methyl-1,3-benzothiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine Openeye Name: N6-(1,1-dimethylpropyl)-N2-(2-methyl-1,3-benzothiazol-5-yl)-7H-purine-2,6-diamine CAS Name: N2-(2-methyl-1,3-benzothiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine IUPAC Name: 2-N-(2-methyl-1,3-benzothiazol-5-yl)-6-N-(2-methylbutan-2-yl)-7H-purine-2,6-diamine Traditional Name: tert-amyl-[2-[(2-methyl-1,3-benzothiazol-5-yl)amino]-7H-purin-6-yl]amine Formula: C18H21N7S MolecularWeight: 367.47124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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