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

Systemtic Name: 2-[9-[2,3-bis(oxidanyl)propyl]-2-(2-phenylethynyl)purin-6-yl]guanidine Openeye Name: 2-[9-(2,3-dihydroxypropyl)-2-(2-phenylethynyl)purin-6-yl]guanidine CAS Name: 2-[9-(2,3-dihydroxypropyl)-2-(2-phenylethynyl)-6-purinyl]guanidine IUPAC Name: 2-[9-(2,3-dihydroxypropyl)-2-(2-phenylethynyl)purin-6-yl]guanidine Traditional Name: 2-[9-glyceryl-2-(2-phenylethynyl)purin-6-yl]guanidine Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O2/c18-17(19)23-15-14-16(24(10-20-14)8-12(26)9-25)22-13(21-15)7-6-11-4-2-1-3-5-11/h1-5,10,12,25-26H,8-9H2,(H4,18,19,21,22,23)