N2-(4-azanylcyclohexyl)-N6-[[5-(furan-2-yl)thiophen-2-yl]methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[5-(furan-2-yl)thiophen-2-yl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[[5-(2-furyl)-2-thienyl]methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[5-(2-furanyl)-2-thiophenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[5-(furan-2-yl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[5-(2-furyl)-2-thienyl]methylamino]-9-isopropyl-purin-2-yl]amine Formula: C23H29N7OS MolecularWeight: 451.58766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(S3)C4=CC=CO4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(S3)C4=CC=CO4)NC5CCC(CC5)N

InChI

InChI=1S/C23H29N7OS/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29)