1-[5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-diethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-propan-2-one

Systemtic Name: 1-[5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-diethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-propan-2-one Openeye Name: 1-[3,4-diacetyl-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-hydroxy-propan-2-one CAS Name: 1-[3,4-diacetyl-5-(6-amino-8-bromo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]-1-hydroxy-2-propanone IUPAC Name: 1-[3,4-diacetyl-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-hydroxypropan-2-one Traditional Name: 1-[3,4-diacetyl-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-hydroxy-acetone Formula: C16H18BrN5O7 MolecularWeight: 472.24742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5O7/c1-5(23)9(26)10-15(27,6(2)24)16(28,7(3)25)13(29-10)22-12-8(21-14(22)17)11(18)19-4-20-12/h4,9-10,13,26-28H,1-3H3,(H2,18,19,20)