N2-[4-(1,3-benzothiazol-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine

Systemtic Name: N2-[4-(1,3-benzothiazol-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine Openeye Name: N2-[4-(1,3-benzothiazol-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine CAS Name: N2-[4-(1,3-benzothiazol-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine IUPAC Name: 2-N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-N-tert-butyl-7H-purine-2,6-diamine Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)anilino]-7H-purin-6-yl]-tert-butyl-amine Formula: C22H21N7S MolecularWeight: 415.51404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N7S/c1-22(2,3)29-19-17-18(24-12-23-17)27-21(28-19)25-14-10-8-13(9-11-14)20-26-15-6-4-5-7-16(15)30-20/h4-12H,1-3H3,(H3,23,24,25,27,28,29)