2-[9-[2,3-bis(oxidanyl)propyl]-2-(2-thiophen-2-ylethynyl)purin-6-yl]guanidine

Systemtic Name: 2-[9-[2,3-bis(oxidanyl)propyl]-2-(2-thiophen-2-ylethynyl)purin-6-yl]guanidine Openeye Name: 2-[9-(2,3-dihydroxypropyl)-2-[2-(2-thienyl)ethynyl]purin-6-yl]guanidine CAS Name: 2-[9-(2,3-dihydroxypropyl)-2-(2-thiophen-2-ylethynyl)-6-purinyl]guanidine IUPAC Name: 2-[9-(2,3-dihydroxypropyl)-2-(2-thiophen-2-ylethynyl)purin-6-yl]guanidine Traditional Name: 2-[9-glyceryl-2-[2-(2-thienyl)ethynyl]purin-6-yl]guanidine Formula: C15H15N7O2S MolecularWeight: 357.3903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C#CC2=NC(=C3C(=N2)N(C=N3)CC(CO)O)N=C(N)N

Isomeric SMILES

C1=CSC(=C1)C#CC2=NC(=C3C(=N2)N(C=N3)CC(CO)O)N=C(N)N

InChI

InChI=1S/C15H15N7O2S/c16-15(17)21-13-12-14(22(8-18-12)6-9(24)7-23)20-11(19-13)4-3-10-2-1-5-25-10/h1-2,5,8-9,23-24H,6-7H2,(H4,16,17,19,20,21)