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

Systemtic Name: [5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(6-amino-8-bromo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H14BrN5O5 MolecularWeight: 388.17406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)N=C2Br)O)O

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)N=C2Br)O)O

InChI

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