ethyl 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]butanoate

Systemtic Name: ethyl 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]butanoate Openeye Name: ethyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]butanoate CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]butanoate Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]butyric acid ethyl ester Formula: C22H35N7O2 MolecularWeight: 429.559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N

Isomeric SMILES

CCOC(=O)CCCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N

InChI

InChI=1S/C22H35N7O2/c1-2-31-18(30)8-5-13-24-20-19-21(29(14-25-19)17-6-3-4-7-17)28-22(27-20)26-16-11-9-15(23)10-12-16/h14-17H,2-13,23H2,1H3,(H2,24,26,27,28)