1-[5-(6-azanyl-8-bromanyl-purin-9-yl)-3-ethanoyl-3-oxidanyl-oxolan-2-yl]-1-oxidanyl-propan-2-one

Systemtic Name: 1-[5-(6-azanyl-8-bromanyl-purin-9-yl)-3-ethanoyl-3-oxidanyl-oxolan-2-yl]-1-oxidanyl-propan-2-one Openeye Name: 1-[3-acetyl-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-hydroxy-propan-2-one CAS Name: 1-[3-acetyl-5-(6-amino-8-bromo-9-purinyl)-3-hydroxy-2-oxolanyl]-1-hydroxy-2-propanone IUPAC Name: 1-[3-acetyl-5-(6-amino-8-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]-1-hydroxypropan-2-one Traditional Name: 1-[3-acetyl-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-hydroxy-acetone Formula: C14H16BrN5O5 MolecularWeight: 414.21134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN5O5/c1-5(21)9(23)10-14(24,6(2)22)3-7(25-10)20-12-8(19-13(20)15)11(16)17-4-18-12/h4,7,9-10,23-24H,3H2,1-2H3,(H2,16,17,18)