N2-(4-azanylcyclohexyl)-N6-(phenylmethyl)-9-(thiolan-3-yl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(phenylmethyl)-9-(thiolan-3-yl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-benzyl-9-tetrahydrothiophen-3-yl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-(phenylmethyl)-9-(3-thiolanyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-benzyl-9-(thiolan-3-yl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(benzylamino)-9-tetrahydrothiophen-3-yl-purin-2-yl]amine Formula: C22H29N7S MolecularWeight: 423.57756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NCC4=CC=CC=C4)N=CN3C5CCSC5

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NCC4=CC=CC=C4)N=CN3C5CCSC5

InChI

InChI=1S/C22H29N7S/c23-16-6-8-17(9-7-16)26-22-27-20(24-12-15-4-2-1-3-5-15)19-21(28-22)29(14-25-19)18-10-11-30-13-18/h1-5,14,16-18H,6-13,23H2,(H2,24,26,27,28)