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

Systemtic Name: N2-(1,3-benzothiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine Openeye Name: N2-(1,3-benzothiazol-5-yl)-N6-(1,1-dimethylpropyl)-7H-purine-2,6-diamine CAS Name: N2-(1,3-benzothiazol-5-yl)-N6-(2-methylbutan-2-yl)-7H-purine-2,6-diamine IUPAC Name: 2-N-(1,3-benzothiazol-5-yl)-6-N-(2-methylbutan-2-yl)-7H-purine-2,6-diamine Traditional Name: tert-amyl-[2-(1,3-benzothiazol-5-ylamino)-7H-purin-6-yl]amine Formula: C17H19N7S MolecularWeight: 353.44466

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7S/c1-4-17(2,3)24-15-13-14(19-8-18-13)22-16(23-15)21-10-5-6-12-11(7-10)20-9-25-12/h5-9H,4H2,1-3H3,(H3,18,19,21,22,23,24)