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

Systemtic Name: [(2S,3S,5R)-3-azido-5-[6-(prop-2-enylamino)purin-9-yl]oxolan-2-yl]methanol Openeye Name: [(2S,3S,5R)-5-[6-(allylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol CAS Name: [(2S,3S,5R)-3-azido-5-[6-(prop-2-enylamino)-9-purinyl]-2-oxolanyl]methanol IUPAC Name: [(2S,3S,5R)-3-azido-5-[6-(prop-2-enylamino)purin-9-yl]oxolan-2-yl]methanol Traditional Name: [(2S,3S,5R)-5-[6-(allylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol Formula: C13H16N8O2 MolecularWeight: 316.31854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N8O2/c1-2-3-15-12-11-13(17-6-16-12)21(7-18-11)10-4-8(19-20-14)9(5-22)23-10/h2,6-10,22H,1,3-5H2,(H,15,16,17)/t8-,9+,10+/m0/s1