N6-tert-butyl-N2-(2-tert-butyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine

Systemtic Name: N6-tert-butyl-N2-(2-tert-butyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine Openeye Name: N6-tert-butyl-N2-(2-tert-butylbenzothiophen-6-yl)-7H-purine-2,6-diamine CAS Name: N6-tert-butyl-N2-(2-tert-butyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine IUPAC Name: 6-N-tert-butyl-2-N-(2-tert-butyl-1-benzothiophen-6-yl)-7H-purine-2,6-diamine Traditional Name: tert-butyl-[2-[(2-tert-butylbenzothiophen-6-yl)amino]-7H-purin-6-yl]amine Formula: C21H26N6S MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(S1)C=C(C=C2)NC3=NC4=C(C(=N3)NC(C)(C)C)NC=N4

Isomeric SMILES

CC(C)(C)C1=CC2=C(S1)C=C(C=C2)NC3=NC4=C(C(=N3)NC(C)(C)C)NC=N4

InChI

InChI=1S/C21H26N6S/c1-20(2,3)15-9-12-7-8-13(10-14(12)28-15)24-19-25-17-16(22-11-23-17)18(26-19)27-21(4,5)6/h7-11H,1-6H3,(H3,22,23,24,25,26,27)