N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(cyclopropylmethyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(cyclopropylmethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(cyclopropylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(cyclopropylmethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(cyclopropylmethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(cyclopropylmethyl)piperidino]amino]purin-2-yl]amine Formula: C25H40N8 MolecularWeight: 452.6387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5CC5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5CC5)NC6CCC(CC6)N

InChI

InChI=1S/C25H40N8/c26-19-7-9-20(10-8-19)28-25-29-23(31-32-13-11-18(12-14-32)15-17-5-6-17)22-24(30-25)33(16-27-22)21-3-1-2-4-21/h16-21H,1-15,26H2,(H2,28,29,30,31)