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

Systemtic Name: [5-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: [5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: [5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: [5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: [5-(2-amino-8-bromo-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C10H11BrN5O8P-2 MolecularWeight: 440.100801

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)O)O)OP(=O)([O-])[O-]

Isomeric SMILES

C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)O)O)OP(=O)([O-])[O-]

InChI

InChI=1S/C10H13BrN5O8P/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/h2,4-5,8,17-18H,1H2,(H2,20,21,22)(H3,12,14,15,19)/p-2