8-hexyl-1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7H-purin-6-one

Systemtic Name: 8-hexyl-1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7H-purin-6-one Openeye Name: 8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one CAS Name: 8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one IUPAC Name: 8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one Traditional Name: 8-hexyl-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-7H-purin-6-one Formula: C17H27N5O2 MolecularWeight: 333.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1)C(=O)N(C(=N2)NC3CCCC3O)C

Isomeric SMILES

CCCCCCC1=NC2=C(N1)C(=O)N(C(=N2)N[C@@H]3CCC[C@H]3O)C

InChI

InChI=1S/C17H27N5O2/c1-3-4-5-6-10-13-19-14-15(20-13)21-17(22(2)16(14)24)18-11-8-7-9-12(11)23/h11-12,23H,3-10H2,1-2H3,(H,18,21)(H,19,20)/t11-,12-/m1/s1