(2S,5R)-5-(6-azanyl-2-bromanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2S,5R)-5-(6-azanyl-2-bromanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2S,5R)-5-(6-amino-2-bromo-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2S,5R)-5-(6-amino-2-bromo-9-purinyl)-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2S,5R)-5-(6-amino-2-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2S,5R)-5-(6-amino-2-bromo-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol Formula: C10H12BrN5O3 MolecularWeight: 330.13798

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Br)CO)O

Isomeric SMILES

C1[C@@H](O[C@H](C1O)CO)N2C=NC3=C2N=C(N=C3N)Br

InChI

InChI=1S/C10H12BrN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4?,5-,6+/m0/s1