[5-(6-azanyl-8-bromanyl-purin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-bromanyl-purin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate Openeye Name: [5-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate CAS Name: [5-(6-amino-8-bromo-9-purinyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl sulfo hydrogen phosphate IUPAC Name: [5-(6-amino-8-bromopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate Traditional Name: [5-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate Formula: C10H14BrN5O13P2S MolecularWeight: 586.160382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14BrN5O13P2S/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6(28-30(18,19)20)3(27-9)1-26-31(21,22)29-32(23,24)25/h2-3,5-6,9,17H,1H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)(H,23,24,25)