1-[2-(6-aminopurin-9-yl)-4-bromanyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-3-yl]ethanone

Systemtic Name: 1-[2-(6-aminopurin-9-yl)-4-bromanyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-3-yl]ethanone Openeye Name: 1-[2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]ethanone CAS Name: 1-[2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxy-5-(hydroxymethyl)-3-oxolanyl]ethanone IUPAC Name: 1-[2-(6-aminopurin-9-yl)-4-bromo-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]ethanone Traditional Name: 1-(2-adenin-9-yl-4-bromo-3,4-dihydroxy-5-methylol-tetrahydrofuran-3-yl)ethanone Formula: C12H14BrN5O5 MolecularWeight: 388.17406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(OC(C1(O)Br)CO)N2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(=O)C1(C(OC(C1(O)Br)CO)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C12H14BrN5O5/c1-5(20)11(21)10(23-6(2-19)12(11,13)22)18-4-17-7-8(14)15-3-16-9(7)18/h3-4,6,10,19,21-22H,2H2,1H3,(H2,14,15,16)