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

Systemtic Name: 2-[9-[2,3-bis(oxidanyl)propyl]-2-(3-oxidanyl-3-phenyl-prop-1-ynyl)purin-6-yl]guanidine Openeye Name: 2-[9-(2,3-dihydroxypropyl)-2-(3-hydroxy-3-phenyl-prop-1-ynyl)purin-6-yl]guanidine CAS Name: 2-[9-(2,3-dihydroxypropyl)-2-(3-hydroxy-3-phenylprop-1-ynyl)-6-purinyl]guanidine IUPAC Name: 2-[9-(2,3-dihydroxypropyl)-2-(3-hydroxy-3-phenylprop-1-ynyl)purin-6-yl]guanidine Traditional Name: 2-[9-glyceryl-2-(3-hydroxy-3-phenyl-prop-1-ynyl)purin-6-yl]guanidine Formula: C18H19N7O3 MolecularWeight: 381.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O3/c19-18(20)24-16-15-17(25(10-21-15)8-12(27)9-26)23-14(22-16)7-6-13(28)11-4-2-1-3-5-11/h1-5,10,12-13,26-28H,8-9H2,(H4,19,20,22,23,24)