[5-(6-azanyl-8-bromanyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-bromanyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-amino-8-bromo-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-amino-8-bromo-9-purinyl)-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-amino-8-bromopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(6-amino-8-bromo-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H14BrN5O9P2 MolecularWeight: 490.097782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2Br)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2Br)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C10H14BrN5O9P2/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)