2-[9-[2,3-bis(oxidanyl)propyl]-2-hex-1-ynyl-purin-6-yl]guanidine

Systemtic Name: 2-[9-[2,3-bis(oxidanyl)propyl]-2-hex-1-ynyl-purin-6-yl]guanidine Openeye Name: 2-[9-(2,3-dihydroxypropyl)-2-hex-1-ynyl-purin-6-yl]guanidine CAS Name: 2-[9-(2,3-dihydroxypropyl)-2-hex-1-ynyl-6-purinyl]guanidine IUPAC Name: 2-[9-(2,3-dihydroxypropyl)-2-hex-1-ynylpurin-6-yl]guanidine Traditional Name: 2-(9-glyceryl-2-hex-1-ynyl-purin-6-yl)guanidine Formula: C15H21N7O2 MolecularWeight: 331.37294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC(=C2C(=N1)N(C=N2)CC(CO)O)N=C(N)N

Isomeric SMILES

CCCCC#CC1=NC(=C2C(=N1)N(C=N2)CC(CO)O)N=C(N)N

InChI

InChI=1S/C15H21N7O2/c1-2-3-4-5-6-11-19-13(21-15(16)17)12-14(20-11)22(9-18-12)7-10(24)8-23/h9-10,23-24H,2-4,7-8H2,1H3,(H4,16,17,19,20,21)