N6-(1-benzothiophen-6-yl)-N2-(3-bicyclo[2.2.1]heptanyl)-7H-purine-2,6-diamine

Systemtic Name: N6-(1-benzothiophen-6-yl)-N2-(3-bicyclo[2.2.1]heptanyl)-7H-purine-2,6-diamine Openeye Name: N6-(benzothiophen-6-yl)-N2-norbornan-2-yl-7H-purine-2,6-diamine CAS Name: N6-(1-benzothiophen-6-yl)-N2-(3-bicyclo[2.2.1]heptanyl)-7H-purine-2,6-diamine IUPAC Name: 6-N-(1-benzothiophen-6-yl)-2-N-(3-bicyclo[2.2.1]heptanyl)-7H-purine-2,6-diamine Traditional Name: benzothiophen-6-yl-[2-(2-norbornylamino)-7H-purin-6-yl]amine Formula: C20H20N6S MolecularWeight: 376.478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2NC3=NC4=C(C(=N3)NC5=CC6=C(C=C5)C=CS6)NC=N4

Isomeric SMILES

C1CC2CC1CC2NC3=NC4=C(C(=N3)NC5=CC6=C(C=C5)C=CS6)NC=N4

InChI

InChI=1S/C20H20N6S/c1-2-13-7-11(1)8-15(13)24-20-25-18-17(21-10-22-18)19(26-20)23-14-4-3-12-5-6-27-16(12)9-14/h3-6,9-11,13,15H,1-2,7-8H2,(H3,21,22,23,24,25,26)