3-[6-azanyl-2-(3-oxidanyl-3-phenyl-prop-1-ynyl)purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-2-(3-oxidanyl-3-phenyl-prop-1-ynyl)purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-2-(3-hydroxy-3-phenylprop-1-ynyl)-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-2-(3-hydroxy-3-phenylprop-1-ynyl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)purin-9-yl]propane-1,2-diol Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C#CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O)O

InChI

InChI=1S/C17H17N5O3/c18-16-15-17(22(10-19-15)8-12(24)9-23)21-14(20-16)7-6-13(25)11-4-2-1-3-5-11/h1-5,10,12-13,23-25H,8-9H2,(H2,18,20,21)