N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(thiophen-2-ylmethyl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(thiophen-2-ylmethyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-thienylmethyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(thiophen-2-ylmethyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(thiophen-2-ylmethyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(2-thenylamino)purin-2-yl]amine Formula: C21H29N7S MolecularWeight: 411.56686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CS4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CS4)NC5CCC(CC5)N

InChI

InChI=1S/C21H29N7S/c22-14-7-9-15(10-8-14)25-21-26-19(23-12-17-6-3-11-29-17)18-20(27-21)28(13-24-18)16-4-1-2-5-16/h3,6,11,13-16H,1-2,4-5,7-10,12,22H2,(H2,23,25,26,27)