[(2R,3R,4R,5R)-2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-azanyl-8-bromanyl-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3R,4R,5R)-2-(6-amino-8-bromo-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-2-(6-amino-8-bromopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H13BrN5O7P MolecularWeight: 426.117281

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)O)OP(=O)(O)O)Br

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)Br

InChI

InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(23-24(19,20)21)5(18)3(1-17)22-9/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1