8-bromanyl-9-[(5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione Openeye Name: 8-bromo-9-[(5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione CAS Name: 8-bromo-9-[(5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-2,6-dione IUPAC Name: 8-bromo-9-[(5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione Traditional Name: 8-bromo-9-[(5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine Formula: C10H11BrN4O6 MolecularWeight: 363.12154

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)O)O)O

Isomeric SMILES

C([C@@H]1C(C(C(O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)O)O)O

InChI

InChI=1S/C10H11BrN4O6/c11-9-12-3-6(13-10(20)14-7(3)19)15(9)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H2,13,14,19,20)/t2-,4?,5?,8?/m1/s1