[5-(2-azanyl-8-bromanyl-6-oxidanylidene-5H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; sodium

Systemtic Name: [5-(2-azanyl-8-bromanyl-6-oxidanylidene-5H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; sodium Openeye Name: [5-(2-amino-8-bromo-6-oxo-5H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; sodium CAS Name: [5-(2-amino-8-bromo-6-oxo-5H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate; sodium IUPAC Name: [5-(2-amino-8-bromo-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; sodium Traditional Name: [5-(2-amino-8-bromo-6-keto-5H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; sodium Formula: C10H13BrN5NaO8P MolecularWeight: 465.106451

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C3=NC(=NC(=O)C3N=C2Br)N)O)O)OP(=O)(O)O.[Na]

Isomeric SMILES

C(C1C(C(C(O1)N2C3=NC(=NC(=O)C3N=C2Br)N)O)O)OP(=O)(O)O.[Na]

InChI

InChI=1S/C10H13BrN5O8P.Na/c11-9-13-3-6(14-10(12)15-7(3)19)16(9)8-5(18)4(17)2(24-8)1-23-25(20,21)22;/h2-5,8,17-18H,1H2,(H2,12,15,19)(H2,20,21,22);