[(2S,3S,5R)-5-[2-azanyl-6-(prop-2-ynylamino)purin-9-yl]-3-azido-oxolan-2-yl]methanol

Systemtic Name: [(2S,3S,5R)-5-[2-azanyl-6-(prop-2-ynylamino)purin-9-yl]-3-azido-oxolan-2-yl]methanol Openeye Name: [(2S,3S,5R)-5-[2-amino-6-(prop-2-ynylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol CAS Name: [(2S,3S,5R)-5-[2-amino-6-(prop-2-ynylamino)-9-purinyl]-3-azido-2-oxolanyl]methanol IUPAC Name: [(2S,3S,5R)-5-[2-amino-6-(prop-2-ynylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol Traditional Name: [(2S,3S,5R)-5-[2-amino-6-(propargylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol Formula: C13H15N9O2 MolecularWeight: 329.3173

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)N=[N+]=[N-])N

Isomeric SMILES

C#CCNC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N

InChI

InChI=1S/C13H15N9O2/c1-2-3-16-11-10-12(19-13(14)18-11)22(6-17-10)9-4-7(20-21-15)8(5-23)24-9/h1,6-9,23H,3-5H2,(H3,14,16,18,19)/t7-,8+,9+/m0/s1