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

Systemtic Name: [(2S,3S,5R)-5-[2-azanyl-6-(phenethylamino)purin-9-yl]-3-azido-oxolan-2-yl]methanol Openeye Name: [(2S,3S,5R)-5-[2-amino-6-(phenethylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol CAS Name: [(2S,3S,5R)-5-[2-amino-6-(phenethylamino)-9-purinyl]-3-azido-2-oxolanyl]methanol IUPAC Name: [(2S,3S,5R)-5-[2-amino-6-(phenethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol Traditional Name: [(2S,3S,5R)-5-[2-amino-6-(phenethylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol Formula: C18H21N9O2 MolecularWeight: 395.41844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)N)CO)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)N)CO)N=[N+]=[N-]

InChI

InChI=1S/C18H21N9O2/c19-18-23-16(21-7-6-11-4-2-1-3-5-11)15-17(24-18)27(10-22-15)14-8-12(25-26-20)13(9-28)29-14/h1-5,10,12-14,28H,6-9H2,(H3,19,21,23,24)/t12-,13+,14+/m0/s1