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

Systemtic Name: N6-(1-benzothiophen-6-yl)-N2-cyclooctyl-7H-purine-2,6-diamine Openeye Name: N6-(benzothiophen-6-yl)-N2-cyclooctyl-7H-purine-2,6-diamine CAS Name: N6-(1-benzothiophen-6-yl)-N2-cyclooctyl-7H-purine-2,6-diamine IUPAC Name: 6-N-(1-benzothiophen-6-yl)-2-N-cyclooctyl-7H-purine-2,6-diamine Traditional Name: benzothiophen-6-yl-[2-(cyclooctylamino)-7H-purin-6-yl]amine Formula: C21H24N6S MolecularWeight: 392.52046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)C=CS5)NC=N3

Isomeric SMILES

C1CCCC(CCC1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)C=CS5)NC=N3

InChI

InChI=1S/C21H24N6S/c1-2-4-6-15(7-5-3-1)25-21-26-19-18(22-13-23-19)20(27-21)24-16-9-8-14-10-11-28-17(14)12-16/h8-13,15H,1-7H2,(H3,22,23,24,25,26,27)